기본 정보
- CAS
914946-88-6- 표준 SMILES
CNc1nc2[nH]c(-c3cccc(CNC(=O)COC)n3)cc2c2c1ncn2C- InChIKey
ULTCRVJUAZCGPP-UHFFFAOYSA-N- 분자식
- C19H21N7O2
- 평균 분자량
- 379.4 g/mol
이름 및 식별자
- 우선 이름
- Bms-066
- IUPAC
- 2-methoxy-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide
- 영어명
- ULTCRVJUAZCGPP-UHFFFAOYSA-N
- 분자식
- C19H21N7O2
- 분자량
- 379.42
이름 및 동의어
BMS-066914946-88-6BL7XSD8R7BN-((6-(1,6-Dihydro-1-methyl-4-(methylamino)imidazo(4,5-d)pyrrolo(2,3-b)pyridin-7-yl)-2-pyridinyl)methyl)-2-methoxyacetamideAcetamide, N-((6-(1,5-dihydro-1-methyl-4-(methylamino)imidazo(4,5-d)pyrrolo(2,3-b)pyridin-7-yl)-2-pyridinyl)methyl)-2-methoxy-Acetamide, N-((6-(1,6-dihydro-1-methyl-4-(methylamino)imidazo(4,5-d)pyrrolo(2,3-b)pyridin-7-yl)-2-pyridinyl)methyl)-2-methoxy-RefChem:917408BMS066BMS 066CHEMBL19239832-methoxy-N-((6-(1-methyl-4-(methylamino)-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl)pyridin-2-yl)methyl)acetamideUNII-BL7XSD8R7B
이름 더 보기
BMS 066,BMS066Acetamide, N-[[6-[1,6-dihydro-1-methyl-4-(methylamino)imidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]-2-pyridinyl]methyl]-2-methoxy-2-Methoxy-N-((6-(1-methyl-4-(methylamino)-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl)pyridin-2-yl)methyl)acetamide , BMS-066
2-methoxy-N-((6-(1-methyl-4-(methylamino)-1,6-dihydroimiazo(4,5-d)pyrrolo(2,3-b)pyridin-7-yl)pyridin-2-yl)methyl)acetamide2-Methoxy-N-({6-[1-Methyl-4-(Methylamino)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridin-7-Yl]pyridin-2-Yl}methyl)acetamide2-methoxy-N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]pyridin-2-yl]methyl]acetamideorb1707542SCHEMBL2767624ULTCRVJUAZCGPP-UHFFFAOYSA-NPLB94688BDBM50358591
데이터베이스 식별자
- CAS
914946-88-6- PubChem CID
- 24825710
- ChEMBL
CHEMBL1923983- UNII
- BL7XSD8R7B
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 550
물리화학적 성질
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 13.59 · 13.59±0.46(Predicted)
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
화학 및 산업
공급사5 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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