홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

Bredinin

HCID 4213
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
50924-49-7
표준 SMILES
NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O
InChIKey
HZQDCMWJEBCWBR-UHFFFAOYSA-N
분자식
C9H13N3O6
평균 분자량
259.22 g/mol
단동위원소 질량
259.08043514

이름 및 식별자

우선 이름
Bredinin
IUPAC
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
영어명
Mizoribine
분자식
C9H13N3O6
분자량
259.22

이름 및 동의어

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide1-(3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-5-hydroxyimidazole-4-carboxamideRefChem:917534BredininNSC289637NSC 289637;HE 69SCHEMBL7119orb3218421H-Imidazole-4-carboxamide, 5-hydroxy-1-.beta.-D-ribofuranosyl-CHEMBL165000HMS3372M17HMS3869H13
이름 더 보기
bredinineHE 69MizorbineMIZORIBINEMizoribinab-BredininNSC 289637Brn 4151713Mizoribine RS
s1384AKOS0158959341-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-hydroxy-imidazole-4-carboxamideLS-13657NCI60_002375N'-(beta-D-Ribofuranosyl)-5-hydroxy-imida-zole-4-carboxamide

데이터베이스 식별자

CAS
50924-49-7
PubChem CID
4213
ChEMBL
CHEMBL165000

물성

구조 계산 물성

XLogP
-1.9
극성 표면적
151 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
7
회전 가능 결합 수
3
무거운 원자 수
18
형식 전하
0
복잡도
329

물리화학적 성질

녹는점
2000 C · >2000C
끓는 점
402.47 °C · 402.47°C (rough estimate)
밀도
1.4155 · 1.4155 (rough estimate)
굴절률
1.51 · 1.5100 (estimate)
저장 조건
2 · 2-8°C
용해도
DMSO(약간 용해됨), 물(약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
6.75 · 6.75(at 25℃)
색상
흰색에서 황백색까지
Merck
14 · 14,6222
InChI
InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/s3
InChIKey
HZQDCMWJEBCWBR-UUOKFMHZSA-N
SMILES
C1N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(O)=C(C(N)=O)N=1 |&1:2,4,7,9,r|

화학적 성질

Crystalline Solid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
3
rtecs
NI3980000
독성
LD50 in mice (g/kg): >1.5 i.v., >2.4 i.p. (Mizuno, 1975)
HS 번호
29349990
risk_code
46-60-61-36/37/38
hazard_code
T
safety_code
53-22-26-36/37/39-45
Hazard Classifications
Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT SE 3
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 6건

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.

Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)

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.

Substances that inhibit the growth or reproduction of BACTERIA.

응용 분야 · 2건

개요Mizoribine is an orally active immunosuppressant isolated from Eupenicillium brefeldianum. It is reported to inhibit both cell-mediated and antibody mediated immune responses. Mizoribine is approved for use in the prevention of rejection of kidney transplants.

용도Mizoribine has been used in topical treatment to evaluate its effect on ocular surface damage of dry eye in B6 mice subjected to desiccating stress (DS). It has also been used as an inosine monophosphate dehydrogenase (IMPDH) inhibitor to test its in vivo efficacy.

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
广州市亿邦医药科技有限公司+86 (20) 28996708,29078958,28139708,29076128,28133708,28139728,28139738,28133718,021-31663278,021-31663578,021-60538387
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
西安泽邦生物科技有限公司[email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
福建科瑞药业有限公司+86-591-83309157; 18505919179 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海乔木化学科技有限公司021-60451683 15021268886 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖南复瑞生物医药技术有限责任公司15901640172,19275032510 15901640172 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
广州市慈铭生物科技有限公司020-38082199,29065168,38082986,29878298,29866629,4000192398
上海孚一生物科技有限公司+86 (21) 61124340
凯试(上海)科技有限公司021-50135380 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海泽涵生物医药科技有限公司021-61350663 13052117465 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
芜湖诺威化学技术有限公司0553-8233716 18055326116 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트