Cas no 177213-61-5 (Carbamic acid, 1,4-butanediylbis[(3-aminopropyl)-,bis(1,1-dimethylethyl) ester)

Carbamic acid, 1,4-butanediylbis[(3-aminopropyl)-,bis(1,1-dimethylethyl) ester structure
177213-61-5 structure
Product Name:Carbamic acid, 1,4-butanediylbis[(3-aminopropyl)-,bis(1,1-dimethylethyl) ester
CAS No:177213-61-5
MF:C20H42N4O4
MW:402.571885585785
CID:1364009
PubChem ID:389642
Update Time:2025-10-29

Carbamic acid, 1,4-butanediylbis[(3-aminopropyl)-,bis(1,1-dimethylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • Spermine(HBBH)
    • N2,N3-BIS-(TERT-BUTYLOXYCARBONYL)-1,5,10,14-TETRA-AZA-QUATRODECANE
    • N2,N3-Bis-(t-butyloxycarbonyl)-1,5,10,14-tetra-aza-quatrodecan
    • N4,N9-di-Boc-spermine≥ 98% (TLC)
    • Carbamic acid, N,N'-1,4-butanediylbis[N-(3-aminopropyl)-, C,C'-bis(1,1-dimethylethyl) ester
    • di-tert-butylbutane-1,4-diylbis((3-aminopropyl)carbamate)
    • N4, N9-di-Boc-spermine
    • tert-butyl N-(3-aminopropyl)-N-{4-[(3-aminopropyl)(tert-butoxycarbonyl)amino]butyl}carbamate
    • BDBM50184773
    • di-boc-spermine
    • tert-butyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(tert-butoxycarbonyl)amino]butyl]carbamate
    • N4,N8-Bis(t-butoxycarbonyl)spermine
    • 177213-61-5
    • tert-butyl N-(3-aminopropyl)-N-[4-[3-aminopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate
    • SCHEMBL1274075
    • Carbamic acid, 1,4-butanediylbis[(3-aminopropyl)-,bis(1,1-dimethylethyl) ester
    • Carbamic acid, 1,4-butanediylbis[(3-aminopropyl)-, 1,1-dimethylethyl 1,1-dimethylethyl ester
    • CHEMBL209126
    • F72504
    • BP-25476
    • CHA21361
    • AKOS030214416
    • (3-amino-propyl)-{4-[(3-amino-propyl)-tert-butoxycarbonyl-amino]-butyl}-carbamic acid tert-butyl ester
    • NSC-685984
    • CS-0254597
    • MFCD08274632
    • NCI60_030966
    • NSC685984
    • Di-tert-butyl butane-1,4-diylbis((3-aminopropyl)carbamate)
    • Inchi: 1S/C20H42N4O4/c1-19(2,3)27-17(25)23(15-9-11-21)13-7-8-14-24(16-10-12-22)18(26)28-20(4,5)6/h7-16,21-22H2,1-6H3
    • InChI Key: SXSUKFQJCFUOTC-UHFFFAOYSA-N
    • SMILES: O(C(N(CCCN)CCCCN(C(=O)OC(C)(C)C)CCCN)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 402.32060583g/mol
  • Monoisotopic Mass: 402.32060583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 15
  • Complexity: 416
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 111?2

Carbamic acid, 1,4-butanediylbis[(3-aminopropyl)-,bis(1,1-dimethylethyl) ester Pricemore >>

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Additional information on Carbamic acid, 1,4-butanediylbis[(3-aminopropyl)-,bis(1,1-dimethylethyl) ester

Research Briefing on Carbamic Acid Derivative (CAS: 177213-61-5) and Its Applications in Chemical Biology and Medicine

The compound with CAS number 177213-61-5, chemically named Carbamic acid, 1,4-butanediylbis[(3-aminopropyl)-,bis(1,1-dimethylethyl) ester, has recently gained attention in chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This briefing synthesizes the latest findings on this molecule, focusing on its synthesis, biological activities, and emerging applications in drug development.

Recent studies have highlighted the role of 177213-61-5 as a versatile building block in medicinal chemistry. Its structure features two tert-butyl carbamate-protected amino groups linked by a butylene spacer, making it particularly useful for constructing drug-like molecules with improved pharmacokinetic properties. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its effectiveness as a precursor in the synthesis of novel protease inhibitors, showing promising activity against several viral targets.

In the field of drug delivery, researchers have explored the use of this carbamic acid derivative as a component of pH-sensitive prodrug systems. The tert-butyl protecting groups provide stability under physiological conditions while allowing controlled release of active compounds in acidic environments such as tumor tissues or intracellular compartments. This property was successfully utilized in a recent cancer therapy development project, where the molecule served as a linker between cytotoxic agents and targeting antibodies.

From a synthetic chemistry perspective, several improved preparation methods for 177213-61-5 have been reported in the past two years. A 2024 publication in Organic Process Research & Development described an optimized large-scale synthesis with higher yields (85-90%) and reduced environmental impact compared to previous routes. These advances have made the compound more accessible for both academic research and industrial applications.

Emerging research suggests potential neurological applications for derivatives of this carbamic acid compound. Preliminary in vitro studies indicate that certain structural analogs may modulate neurotransmitter systems, particularly those involving GABAergic signaling. While these findings are still in early stages, they open new avenues for developing treatments for neurological disorders.

The safety profile of 177213-61-5 has been evaluated in several recent toxicological studies. Current data suggest low acute toxicity (LD50 > 2000 mg/kg in rodent models) and minimal genotoxic potential, supporting its use in pharmaceutical development. However, researchers emphasize the need for comprehensive metabolite identification studies, as the breakdown products of this compound in biological systems are not yet fully characterized.

Looking forward, the scientific community anticipates expanded applications of this carbamic acid derivative in areas such as targeted protein degradation and antibody-drug conjugates. Its chemical versatility and favorable properties position it as a valuable tool in modern drug discovery pipelines. Continued research efforts are expected to further elucidate its potential and limitations in various therapeutic contexts.

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