Cas no 186692-46-6 (Seliciclib)

Seliciclib (CYC202 or R-roscovitine) is a purine-derived cyclin-dependent kinase (CDK) inhibitor, primarily targeting CDK2, CDK7, and CDK9. It exhibits potent inhibitory activity, disrupting cell cycle progression and transcription regulation, making it a candidate for oncology research. Seliciclib's mechanism involves competitive ATP-binding site inhibition, leading to apoptosis in proliferating cells. Its selectivity and well-characterized pharmacokinetic profile support its use in preclinical and clinical studies, particularly for cancers such as non-small cell lung carcinoma and hematologic malignancies. The compound has demonstrated synergistic effects with other chemotherapeutics, enhancing its potential in combination therapies. Its stability and solubility facilitate in vitro and in vivo applications.
Seliciclib structure
Seliciclib structure
Product Name:Seliciclib
CAS No:186692-46-6
MF:C19H26N6O
MW:354.449343204498
MDL:MFCD02266401
CID:66306
PubChem ID:24278682
Update Time:2025-05-20

Seliciclib Chemical and Physical Properties

Names and Identifiers

    • (R)-2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol
    • (R)-Roscovitine
    • 6-(Benzylamino)-2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine
    • Roscovitine (Seliciclib,CYC202)
    • 2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
    • Roscovitine
    • R-roscovitine
    • Seliciclib
    • Seliciclib (Roscovitine,R-roscovitine, CYC202)
    • CYC 202
    • CYC202 Cyclacel
    • P34 CDC2
    • Roscovitin
    • CYC-202(ROSCOVITINE)
    • 2-(R)-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol
    • Posiphe
    • Roscoviline
    • (R)-2-(1-ETHY
    • ROSCOVITINE 95+%
    • CYC202
    • InSolution™ Roscovitine
    • 0ES1C2KQ94
    • NSC701554
    • (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol
    • (2R)-2-[[6-(benzylamino)-9-propan-2-ylpur
    • BSPBio_001078
    • NCGC00094374-03
    • (2R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol
    • BiomolKI2_000054
    • BCP01760
    • KBio2_000418
    • Roscovitine (Seliciclib, CYC202)
    • (2R)-2-((6-benzylamino-9-(propan-2-yl)-9h-purin-2-yl)amino)butan-1-ol
    • HMS3403F19
    • AC-2416
    • EN300-26484982
    • 1unl
    • SELICICLIB [MI]
    • A813074
    • 1-Butanol, (2R)-
    • AS-56277
    • BiomolKI_000048
    • BMK1-E12
    • Roscovitine, >=98% (TLC)
    • NS00068708
    • CBiol_002016
    • NCGC00094374-05
    • BRD-K07691486-001-05-6
    • KBio2_002986
    • cid_160355
    • NSC-701554
    • K00020
    • BDBM7533
    • 3ddq
    • Lopac0_001102
    • KBioSS_000418
    • GTPL6035
    • KBio3_000795
    • BCPP000087
    • CC205
    • (2R)-2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol
    • CHEMBL14762
    • NCGC00094374-02
    • 186692-46-6
    • CYC-202
    • BCBcMAP01_000013
    • ROSCOVITINE(Seliciclib)
    • Bio2_000379
    • 1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (2R)-
    • NSC-800881
    • (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
    • KBio2_005554
    • IDI1_002134
    • (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol
    • Q3494619
    • MLS006011028
    • SELICICLIB [WHO-DD]
    • EX-A052
    • NCGC00094374-04
    • HMS3229N13
    • J-524224
    • HMS1792F19
    • NCGC00094374-13
    • BRD-K07691486-001-03-1
    • Bio2_000859
    • KBio3_000796
    • M02443
    • SW220195-1
    • RRC
    • HMS1990F19
    • Seliciclib (Roscovitine)
    • s1153
    • 1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (R)-
    • 2,6,9-Trisubstituted purine deriv. 28
    • SCHEMBL94728
    • KBioGR_000418
    • NSC 701554
    • Seliciclib [INN]
    • HMS1362F19
    • UNII-0ES1C2KQ94
    • (2R)-2-[[6-(benzylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
    • HY-30237
    • AMY10845
    • CHEBI:45307
    • 1-Butanol, 2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-, (2R)-
    • BTIHMVBBUGXLCJ-OAHLLOKOSA-N
    • (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
    • Rosco
    • AKOS005146319
    • SMR004702823
    • DTXSID20171928
    • 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]- 9H-purin-2-yl]amino]-(R)-1-butanol
    • DB06195
    • Bio1_000302
    • NCI60_036420
    • SMP1_000266
    • HSCI1_000092
    • NCGC00094374-01
    • NSC800881
    • CCG-100652
    • J-011999
    • AL-39256
    • (2R)-2-{[6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol
    • 2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
    • Roscovitine - CAS 186692-46-6
    • (R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol
    • MFCD02266401
    • Bio1_000791
    • Z1741982636
    • NCGC00094374-15
    • 2a4l
    • Bio1_001280
    • (2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol
    • GLXC-04786
    • Roscovitine , R-roscovitine , CYC202
    • ROSCOVITINE(Seliciclib)?
    • BRD-K07691486-001-15-5
    • NCGC00094374-09
    • BRD-K07691486-001-19-7
    • MDL： MFCD02266401
    • Inchi： 1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
    • InChI Key： BTIHMVBBUGXLCJ-OAHLLOKOSA-N
    • SMILES： OC[C@@H](CC)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 354.21700
  • Monoisotopic Mass: 354.217
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 8
  • Complexity: 417
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 6
  • XLogP3: 3.2
  • Topological Polar Surface Area: 87.9

Experimental Properties

  • Color/Form: White to grayish white solid
  • Density: 1.3
  • Melting Point: 106～107℃
  • Boiling Point: 577.5 °C at 760 mmHg
  • Flash Point: 303.1 °C
  • Refractive Index: 1.643
  • PSA: 87.89000
  • LogP: 3.34810

Seliciclib Security Information

Seliciclib Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Seliciclib Pricemore >>

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Seliciclib Production Method

Seliciclib Related Literature

Related Categories

Additional information on Seliciclib

Recent Advances in Seliciclib (186692-46-6) Research: A Comprehensive Update

Seliciclib (R-roscovitine; CAS 186692-46-6), a potent cyclin-dependent kinase (CDK) inhibitor, continues to attract significant attention in the field of chemical biology and pharmaceutical research. This small molecule ATP-competitive inhibitor selectively targets CDK2, CDK7, and CDK9, making it a promising candidate for various therapeutic applications, particularly in oncology and inflammatory diseases. Recent studies have further elucidated its mechanism of action, pharmacokinetic properties, and potential clinical applications, reinforcing its position as a key player in targeted therapy development.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated significant progress in understanding Seliciclib's structural-activity relationship. Researchers employed X-ray crystallography to reveal precise binding modes of 186692-46-6 with CDK2/cyclin E complex, providing crucial insights for the design of next-generation CDK inhibitors. The study highlighted Seliciclib's unique ability to induce conformational changes in the kinase domain, which may explain its distinct biological effects compared to other CDK inhibitors in its class.

Clinical trial updates have shown particularly promising results in oncology applications. Phase II studies investigating Seliciclib as a monotherapy for non-small cell lung cancer (NSCLC) reported improved progression-free survival rates, with a favorable safety profile. Notably, biomarker analyses confirmed significant downregulation of MCL-1 and RNA polymerase II phosphorylation, validating the compound's proposed mechanism of action at the clinical level. These findings were recently presented at the 2023 American Association for Cancer Research annual meeting.

Emerging research has expanded the potential therapeutic scope of Seliciclib beyond oncology. A groundbreaking preclinical study published in Nature Communications demonstrated the compound's efficacy in treating cystic fibrosis through modulation of RNA processing. The research team found that 186692-46-6 could effectively correct the aberrant splicing of CFTR mRNA in patient-derived cells, opening new avenues for repurposing this molecule in genetic disorders.

Pharmacokinetic optimization remains an active area of investigation. Recent work published in European Journal of Pharmaceutical Sciences described novel formulation strategies to enhance Seliciclib's oral bioavailability. The development of nanocrystal formulations and lipid-based delivery systems has shown potential to overcome the compound's solubility limitations, with some formulations demonstrating up to 3-fold increases in plasma exposure in animal models.

Combination therapy approaches have also gained traction in recent studies. Research teams have reported synergistic effects when Seliciclib is paired with PARP inhibitors in BRCA-mutated cancers, and with immune checkpoint inhibitors in immunologically "cold" tumors. These findings suggest that 186692-46-6 may play an important role in emerging combination treatment paradigms, particularly in the context of overcoming therapeutic resistance.

As we look to the future, several clinical trials are currently underway to further evaluate Seliciclib's therapeutic potential. These include investigations into its use as a senolytic agent in age-related diseases, as well as its application in viral infections where host CDKs play crucial roles in pathogen replication. The continued exploration of 186692-46-6 underscores its versatility as a pharmacological tool and therapeutic candidate in the chemical biology landscape.

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