Cas no 1553977-17-5 (Ibrutinib-d)
Ibrutinib-d is a deuterated analog of ibrutinib, a well-known Bruton's tyrosine kinase (BTK) inhibitor. The incorporation of deuterium atoms at specific positions enhances the metabolic stability of the molecule, potentially improving its pharmacokinetic profile. This modification can lead to reduced oxidative metabolism, extending the half-life and increasing systemic exposure compared to the non-deuterated form. Ibrutinib-d is primarily used in research settings to study drug metabolism, deuterium isotope effects, and the development of optimized therapeutic agents. Its key advantages include improved metabolic resistance and potential for more consistent pharmacological activity, making it a valuable tool for preclinical and mechanistic studies in oncology and immunology.
Ibrutinib-d structure
Product Name:Ibrutinib-d
CAS No:1553977-17-5
MF:C25H19D5N6O2
MW:445.528
CID:2094735
PubChem ID:73053689
Update Time:2025-10-31
Ibrutinib-d Chemical and Physical Properties
Names and Identifiers
-
- Ibrutinib D5
- Ibrutinib-d5
- (R)-1-(3-(4-amino-3-(4-(perdeuterophenoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
- 1-[(3R)-3-(4-Amino-3-{4-[(2H5)phenyloxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-piperidinyl]-2-propen-1-one
- Ibrutinib-d
- AKOS040733412
- HY-10997S
- MS-28030
- DA-74386
- 1553977-17-5
- 1-[(3R)-3-[4-amino-3-[4-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
- PCI-32765 D5
- CS-0019816
- 1ST162740D5
- AT37727
-
- Inchi： InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1/i3D,4D,5D,8D,9D
- InChI Key： XYFPWWZEPKGCCK-OZUAZJOXSA-N
- SMILES： C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
Computed Properties
- Exact Mass: 445.22700
- Monoisotopic Mass: 445.22745776g/mol
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 33
- Rotatable Bond Count: 5
- Complexity: 678
- 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
- XLogP3: 3.6
- Topological Polar Surface Area: 99.2?2
Experimental Properties
- PSA: 99.16000
- LogP: 4.73640
Ibrutinib-d Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| ChemScence | CS-0019816-5mg |
Ibrutinib-d5 |
1553977-17-5 | 98.34% | 5mg |
$850.0 | 2022-04-27 | |
| ChemScence | CS-0019816-10mg |
Ibrutinib-d5 |
1553977-17-5 | 98.34% | 10mg |
$1500.0 | 2022-04-27 | |
| MedChemExpress | HY-10997S-5mg |
Ibrutinib-d |
1553977-17-5 | 98.08% | 5mg |
￥10800 | 2023-08-31 | |
| MedChemExpress | HY-10997S-10mg |
Ibrutinib-d5 |
1553977-17-5 | 98.34% | 10mg |
￥15000 | 2022-03-28 | |
| Biosynth | DMC97717-1 mg |
Ibrutinib d5 |
1553977-17-5 | 1mg |
$358.05 | 2023-01-05 | ||
| Biosynth | DMC97717-5 mg |
Ibrutinib d5 |
1553977-17-5 | 5mg |
$1,163.70 | 2023-01-05 | ||
| Biosynth | DMC97717-10 mg |
Ibrutinib d5 |
1553977-17-5 | 10mg |
$1,861.90 | 2023-01-05 | ||
| Biosynth | DMC97717-25 mg |
Ibrutinib d5 |
1553977-17-5 | 25mg |
$3,491.25 | 2023-01-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-495736A-500 μg |
Ibrutinib-d5, |
1553977-17-5 | 500μg |
￥1,173.00 | 2023-07-11 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-495736-1 mg |
Ibrutinib-d5, |
1553977-17-5 | 1mg |
￥2,256.00 | 2023-07-11 |
Ibrutinib-d Related Literature
-
1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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