기본 정보
- CAS
11033-22-0- 표준 SMILES
OC[C@H]1O[C@@H](n2cnc3c2NC=NC[C@H]3O)[C@H](O)[C@@H]1O- InChIKey
YOOVTUPUBVHMPG-LODYRLCVSA-N- 분자식
- C11H16N4O5
- 평균 분자량
- 284.27 g/mol
- 단동위원소 질량
- 284.11206962
개요
Coformycin is an N-glycosyl in which (8R)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is attached to ribofuranose via a beta-N3-glycosidic bond. compound The parent of the class of coformycins. It has a role as an EC 3.5.4.4 (adenosine deaminase) inhibitor. It is a conjugate base of a coformycin(1+).
이름 및 식별자
- 우선 이름
- Coformycin
- IUPAC
- (2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- 현지명
- 코포마이신
- 영어명
- coformycin
- 분자식
- C11H16N4O5
- 분자량
- 284.27
이름 및 동의어
coformycin11033-22-0(R)-3,4,7,8-Tetrahydro-3-beta-D-ribofuranosylimidazo(4,5-d)(1,3)diazepin-8-olE49510ZL0HImidazo(4,5-d)(1,3)diazepin-8-ol, 3,4,7,8-tetrahydro-3-beta-D-ribofuranosyl-, (R)-NSC-277817(8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-olCHEBI:16213(2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol(8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo(4,5-d)(1,3)diazepin-8-ol(2R,3R,4S,5R)-2-((8R)-8-hydroxy-7,8-dihydro-4H-imidazo(4,5-d)(1,3)diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolRefChem:127407
이름 더 보기
코포마이신5-d)(1,3)diazepin-8-ol,3,4,7,8-tetrahydro-3-beta-d-ribofuranosyl-imidazo(((8R)-3-β-D-Ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol(8R)-3,4,7,8-Tetrahydro-3-β-D-ribofuranosylimidazo[4,5-d][1,3]diazepin-8-ol(r)-3,4,7,8-tetrahydro-3-beta-d-ribofuranosylimidazo(4,5-d)(1,3)diazepin-8-oImidazo[4,5-d][1,3]diazepin-8-ol, 3,4,7,8-tetrahydro-3-β-D-ribofuranosyl-, (8R)-
NSC 277817CHEMBL284483UNII-E49510ZL0HNSC277817Coformycin - API StandardsSCHEMBL442534orb1703587YOOVTUPUBVHMPG-LODYRLCVSA-N
데이터베이스 식별자
- CAS
11033-22-0- PubChem CID
- 25447
- ChEMBL
CHEMBL284483- ChEBI
CHEBI:16213- UNII
- E49510ZL0H
- Nikkaji
- J13.334E
물성
구조 계산 물성
- XLogP
- -3.1
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 384
물리화학적 성질
- 녹는점
- 182 · 182-184 °C
- 끓는 점
- 692.67 · 692.670±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.964 · 1.964±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 12.826 · 12.826±0.20(predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.
공급사5 곳
成都诺维生物科技有限公司028-81458053 · [email protected] [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
BOC Sciences+1-631-485-4226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
추가 설명
정의ChEBI: An N-glycosyl in which (8R)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is attached to ribofuranose via a beta-N3-glycosidic bond. compound The parent of the class of coformycins.
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