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기본 정보
- CAS
1026785-55-6- 표준 SMILES
CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(O)CC2)CC1- InChIKey
WPMJNLCLKAKMLA-UHFFFAOYSA-N- 분자식
- C25H35NO4S
- 평균 분자량
- 445.6 g/mol
- 단동위원소 질량
- 445.22867977
이름 및 식별자
- 우선 이름
- VX-222
- IUPAC
- 5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
- 영어명
- 5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid
- 분자식
- C25H35NO4S
- 분자량
- 445.62
이름 및 동의어
VX-222RefChem:934153Lomibuvir1026785-59-01026785-55-6cis-LomibuvirVCH-222VX-222 (VCH-222, Lomibuvir)Lomibuvir (VX-222)5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid37L2LF4A2D2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-;2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-
이름 더 보기
VX-222 (S1480Lomibuvir, 10 mM in DMSO5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acidRdRp,Lomibuvir,cis-Lomibuvir,cis-isomer,DNA/RNA Synthesis,HCV,inhibit,Inhibitor,non-nucleoside polymerase,Hepatitis C virus5-(3,3-Dimethyl-1-butynyl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]thiophene-2-carboxylic acid5-(3,3-Dimethylbut-1-yn-1-yl)-3-(trans-N-(trans-4-hydroxycyclohexyl)-4-methylcyclohexanecarboxamido)thiophene-2-carboxylic acid5-(3,3-Dimethyl-1-butyn-1-yl)-3-{(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino}-2-thiophenecarboxylic acid5-(3,3-DIMETHYLBUT-1-YN-1-YL)-3-((1R,4R)-N-((1R,4R)-4-HYDROXYCYCLOHEXYL)-4-METHYLCYCLOHEXANE-1-CARBOXAMIDO)THIOPHENE-2-CARBOXYLIC ACID
Lomibuvir [USAN]Lomibuvir [USAN:INN]UNII-37L2LF4A2DC25H35NO4SVCH 222VX 222-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-((trans-4-hydroxycyclohexyl)((trans-4-methylcyclohexyl)carbonyl)amino)-2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-
데이터베이스 식별자
- CAS
1026785-55-6- PubChem CID
- 24798764
- ChEMBL
CHEMBL2403319、CHEMBL3182952- ChEBI
CHEBI:94757- UNII
- 37L2LF4A2D
- Nikkaji
- J3.033.521J
물성
구조 계산 물성보충 중
- XLogP
- 5.9
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 717
물리화학적 성질
- 끓는 점
- 640.5 · 640.5±55.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 32 mg/mL · DMSO: ≥ 32 mg/mL (71.81 mM)
- 산도 계수 (pKa)
- 3.67 · 3.67±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사20 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
上海波以尔化工有限公司[email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
上海偕腾生物科技有限公司+86-021-58975553 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
成都莱先生物科技有限公司19982073091 · [email protected]
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斯派螺（武汉）药物研发有限公司[email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
武汉研哲科技有限公司15527250409 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陌孚医药科技有限公司4000862158 18117107507 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
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