데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
229975-97-7- 표준 SMILES
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O- InChIKey
DQSGVVGOPRWTKI-QVFAWCHISA-N- 분자식
- C38H54N6O11S
- 평균 분자량
- 802.9 g/mol
- 단동위원소 질량
- 802.35712773
이름 및 식별자
- 우선 이름
- Atazanavir Sulfate
- IUPAC
- methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;sulfuric acid
- 영어명
- Atazanavir sulfate
- 분자식
- C38H54N6O11S
- 분자량
- 802.94
이름 및 동의어
Atazanavir sulfate229975-97-7Atazanavir sulphateBMS-232632-05AtazorAtazanavir so4Atazanaviri sulfas4MT4VIE29PNSC-742546EVOTAZ COMPONENT ATAZANAVIR SULFATE2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt)DTXSID401017206
이름 더 보기
ZrivadaCgp 75355Aids060276Aids-060276Azanavir sulfateBMS232632 sulfateBMS 232632 sulfateBMS-232632 sulfate
232632, BMSCHEBI:312432,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt)RefChem:54331DTXCID801475397CGP73547CGP75176CGP75355
물성
구조 계산 물성보충 중
- 극성 표면적
- 254 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,190
물리화학적 성질
- 녹는점
- 195 °, · 195.0°, or acetone; mp 198-199° (dec)
- 밀도
- 1.178 · 1.178
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 28.7 mg/mL · ≥28.7 mg/mL in DMSO with gentle warming; insoluble in H2O; ≥4.05 mg/mL in EtOH with gentle warming and ultrasonic
- 물리적 상태
- 가루
- 색상
- White to light yellow
- 수용성
- 2 O: · H2O: 2mg/mL, clear
- InChIKey
- DQSGVVGOPRWTKI-ZTSWSJPKNA-N
- SMILES
- S(O)(O)(=O)=O.N(NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(C[C@H](O)[C@@H](NC(=O)[C@H](C(C)(C)C)NC(=O)OC)CC1C=CC=CC=1)CC1C=CC(C2N=CC=CC=2)=CC=1 |&1:9,20,22,26,r|
화학적 성질
Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (77.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (22.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H372 (55.6%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]；H411 (22.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesEye Dam. 1 (77.8%)；Eye Irrit. 2 (22.2%)；STOT RE 1 (55.6%)；Aquatic Chronic 2 (22.2%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Atazanavir sulfate
vLess-DILI-concern
3
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
화학 및 산업
약리 정보
FDA Pharmacological Classification
ATAZANAVIR SULFATE
HIV Protease Inhibitors [MoA]; Cytochrome P450 2C8 Inhibitors [MoA]; UDP Glucuronosyltransferases Inhibitors [MoA]; Protease Inhibitor [EPC]; Cytochrome P450 3A Inhibitors [MoA]; Cytochrome P450 3A4 Inhibitors [MoA]; UGT1A1 Inhibitors [MoA]
MeSH Pharmacological ClassificationInhibitors of HIV PROTEASE, an enzyme required for production of proteins needed for viral assembly.
응용 분야
개요Atazanavir (BMS-232632, III), an azapeptide HIV protease inhibitor, has been developed and launched by Bristol-Myers Squibb (BMS), under worldwide license from Novartis, for the treatment of HIV infection. Atazanavir was launched in the US as Reyataz™ in July 2003.
용도Atazanavir is a HIV protease inhibitor with Ki of 2.66 nM
공급사102 곳
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南京云志欣合生物科技有限公司18115209001 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
관련 반응
7건
화합물 노트
불러오는 중…