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Abacavir sulfate

HCID 441384
노트반응

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기본 정보이름 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.Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=S(=O)(O)O
분자식
C14H20N6O5S
평균 분자량
384.41 g/mol

이름 및 식별자

우선 이름
Abacavir sulfate
영어명
Abacavir sulfate
분자식
C14H20N6O5S
분자량
384.41

이름 및 동의어

ABACAVIR SULPHATEZIAGENAbacavir HemisulfateAbacavir Sulfate RaceMicDRG 0257Hsdb 7154ABC sulfate1592U89 sulfateUnii-J220T4J9Q2bacavir sulfate

데이터베이스 식별자

CAS
188062-50-2、2736655-48-2
PubChem CID
441384
ChEMBL
CHEMBL4303288
ChEBI
CHEBI:2361
UNII
1PPL256S5A、J220T4J9Q2
EC Number
620-488-4

물성

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

관련 반응

6건
반응 기록 만들기
HRID 420886 반응식
HRID 420886생성물로uspto-grants-2012_01
HRID 1928518 반응식
HRID 1928518생성물로uspto-grants-2012_05
HRID 1928519 반응식
HRID 1928519생성물로uspto-grants-2012_05
HRID 1928520 반응식
HRID 1928520생성물로uspto-grants-2012_05
HRID 1928521 반응식
HRID 1928521생성물로uspto-grants-2012_05
HRID 1928522 반응식
HRID 1928522생성물로uspto-grants-2012_05

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 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

공급사100 곳

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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.