BMS 986094 - ≥98%(HPLC) , Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor, CAS No.1234490-83-5, Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor

CAS: 1234490-83-5 Cat. No.: B288763 분자식: C30H39N6O9P 분자량: 658.65
주문 가능
GRADE & PURITY ≥98%(HPLC)
Synonyms
DTXSID00154017 | AS-74509 | BMS 986094 | INX08189 | INX-08189 | 62F4AD749Y | 2,2-dimethylpropyl (2S)-2-[({[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-imino-6-methoxy-3,9-dihydro-2H-purin-9-yl)-4-methyloxolan-2-yl]methoxy}(naphthalen-1-yloxy)phosphoryl)amino]propano
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
5mg
B288763-5mg
주문제작 · 8~12주
US$307.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
DTXSID00154017 | AS-74509 | BMS 986094 | INX08189 | INX-08189 | 62F4AD749Y | 2,2-dimethylpropyl (2S)-2-[({[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-imino-6-methoxy-3,9-dihydro-2H-purin-9-yl)-4-methyloxolan-2-yl]methoxy}(naphthalen-1-yloxy)phosphoryl)amino]propano
사양 및 순도
≥98%(HPLC)
생화학 및 생리적 메커니즘
Potent hepatitis C virus (HCV) replication inhibitor (EC50= 35 nM). Is rapidly metabolized in primary human hepatocytes to 2'-C-methyl guanosine triphosphate, an inhibitor of HCV RNA-dependent RNA polymerase NS5b. Displays 10-fold reduction in potency in
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
작업 유형
INHIBITOR
작동 메커니즘
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor
순수함
≥98%(HPLC)
제품 특성
ALogP2.8
이름과 식별자
정식 스마일CC(C(=O)OCC(C)(C)C)NP(=O)(OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3OC)N)(C)O)O)OC4=CC=CC5=CC=CC=C54
IUPAC Name2,2-dimethylpropyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
InChIKeyYFXGICNMLCGLHJ-RSKRLRQZSA-N
INCHI1S/C30H39N6O9P/c1-17(26(38)42-15-29(2,3)4)35-46(40,45-20-13-9-11-18-10-7-8-12-19(18)20)43-14-21-23(37)30(5,39)27(44-21)36-16-32-22-24(36)33-28(31)34-25(22)41-6/h7-13,16-17,21,23,27,37,39H,14-15H2,1-6H3,(H,35,40)(H2,31,33,34)/t17-,21+,23+,27+,30+,46?/m0/s1
이성체 SMILES C[C@@H](C(=O)OCC(C)(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=NC3=C2N=C(N=C3OC)N)(C)O)O)OC4=CC=CC5=CC=CC=C54
분자량 658.65
Reaxy-Rn 51050972
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51050972&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
분류Carboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAlpha amino acid esters
Alternative Parents Alanine and derivatives  Glycosylamines  Pentoses  Naphthalenes  Hypoxanthines  Phosphoric diester monoamides  Alkyl aryl ethers  Aminopyrimidines and derivatives  Organic phosphoramides  N-substituted imidazoles  Tertiary alcohols  Oxolanes  Heteroaromatic compounds  Secondary alcohols  1,2-diols  Carboxylic acid esters  Oxacyclic compounds  Monocarboxylic acids and derivatives  Azacyclic compounds  Primary amines  Organic oxides  Carbonyl compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alpha-amino acid ester - Alanine or derivatives - Glycosyl compound - N-glycosyl compound - Naphthalene - Hypoxanthine - Pentose monosaccharide - Imidazopyrimidine - Purine - Phosphoric diester monoamide - Alkyl aryl ether - Aminopyrimidine - Organic phosphoric acid derivative - Monosaccharide - Phosphoric acid ester - Organic phosphoric acid amide - Benzenoid - N-substituted imidazole - Pyrimidine - Azole - Oxolane - Heteroaromatic compound - Imidazole - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





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작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
용해성Solvent:DMSO, Max Conc. mg/mL: 65.86, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 65.86, Max Conc. mM: 100
분자량658.600 g/mol
XLogP32.800
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Exact Mass658.252 Da
Monoisotopic Mass658.252 Da
Topological Polar Surface Area202.000 Ų
Heavy Atom Count46
Formal Charge0
Complexity1100.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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