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Ziagen

HCID 9843042
새 노트새 반응견적 요청하기인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
188062-50-2
표준 SMILES
Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=S(=O)(O)O
InChIKey
MBFKCGGQTYQTLR-SCYNACPDSA-N
분자식
C14H20N6O5S
평균 분자량
384.41 g/mol
단동위원소 질량
384.12158893

개요

See also: Abacavir Sulfate (annotation moved to); Abacavir (annotation moved to); Epzicom (annotation moved to) ... View More ...

이름 및 식별자

우선 이름
Ziagen
IUPAC
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;sulfuric acid
영어명
Abacavir sulfate
분자식
C14H20N6O5S
분자량
384.41

이름 및 동의어

Abacavir (sulfate)216699-07-9ZiagenAbacavir (monosulfate)[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;sulfuric acid(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol, monosulfateAbacavir monosulfateSCHEMBL40818orb1688357MBFKCGGQTYQTLR-SCYNACPDSA-NGLXC-05757HY-17423B
이름 더 보기
ABACAVIR SULPHATEAbacavir HemisulfateAbacavir Sulfate RaceMicDRG 0257Hsdb 7154ABC sulfate1592U89 sulfateUnii-J220T4J9Q2bacavir sulfate
AKOS015994684KS-1221DA-60675CS-0083626T616794-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-(1S,4R)-2-cyclopentene-1-methanolsulfate

데이터베이스 식별자

CAS
188062-50-2
PubChem CID
9843042

물성

구조 계산 물성

극성 표면적
185 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
10
회전 가능 결합 수
4
무거운 원자 수
26
형식 전하
0
복잡도
496

물리화학적 성질

녹는점
222 · 222-225°C
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: ≥17mg/mL
물리적 상태
가루
색상
흰색에서 황갈색까지
수용성
1.68 ug/L · 1.68ug/L(32℃)
BCS Class
3 · 3
InChIKey
MBFKCGGQTYQTLR-YFYURQRANA-N
SMILES
S(O)(O)(=O)=O.N(C1CC1)C1N=C(N)N=C2N([C@H]3C=C[C@@H](CO)C3)C=NC=12 |&1:16,19,r|
화학적 성질 · 1건

Abacavir sulfate is white to off-white crystalline powder and the solubility is pH dependent with minimal solubility at basic pH and increased solubility at acid. This active substance is slightly soluble in diethyl ether and ethanol. Abacavir exhibits stereoisomerism due to the presence of two chiral centres (1S,4R absolute configuration).

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
3
HS 번호
2933595960
risk_code
63-40
hazard_code
Xn
safety_code
36/37
Hazard Classifications
Carc. 2Eye Irrit. 2Muta. 2Repr. 2Skin Sens. 1
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
188062-50-2(Hazardous Substances Data)

화학 및 산업

응용 분야 · 3건

개요Abacavir sulfate was first launched as Ziagen in the US for the treatment of human immunodeficiency virus (HIV) infection, in combination with other antiretroviral drugs. Abacavir is a carbocyclic nucleoside reverse transcriptase inhibitor (nRTI); it is one of the most potent anti-HIV agents to date. In vitro, Abacavir is a potent and selective inhibitor of HIV-1 and HIV-2 replication. Resistance to Abacavir develops more slowly than for other anti-HIV agents. Abacavir is highly synergistic with protease inhibitors such as Amprenavir. In clinical trials for HIV infections in adults, it produced durable suppression in viral load. Combinations with different protease inhibitors such as Nelfinavir, Saquinavir or Indinavir markedly reduced plasma viral load to undetectable levels for at least 48 weeks, and significantly raised CD4+ cell counts in adults with HIV infection, especially nRTI-naive patients. Abacavir has a good oral availability and its penetration into CSF is much more significant than for other anti-HIV drugs. The two major metabolites identified in humans were the 5'-carboxylate and the 5'-glucuronide, mainly excreted via the renal route.

용도Abacavir sulfate is a nucleoside reverse transcriptase inhibitor (NRTI) used for the treatment of HIV-1 infection and anti-AIDS drug. It has been used in the cytotoxicity to test its tumour promoting activity U937 cells.

일반 설명Abacavir sulfate belongs to the class of human immunodeficiency virus (HIV) medicines called nucleoside reverse transcriptase inhibitors, with antiretroviral activity against HIV.Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.

상·하류 제품 정보

상류 원료

주석산 염Dibenzoate2-Amino-4,6-dihydroxypyrimidine트리에틸아민시클로프로필아민

공급사

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공개 문의

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관련 반응

0건
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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
염화 N-(클로로메틸렌)-N-메틸메탄아미늄 (1:1)
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
디벤조일타르타르산
(1S-cis)-4-아미노-2-사이클로펜텐-1-메탄올
2,5-Diamino-4,6-dihydroxy-pyrimidine

추가 설명

정의ChEBI: Abacavir sulfate is an azaheterocycle sulfate salt that is the sulfate salt of the HIV-1 reverse transcriptase inhibitor abacavir. It is functionally related to an abacavir.