기본 정보
- CAS
69-33-0- 표준 SMILES
Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
HDZZVAMISRMYHH-KCGFPETGSA-N- 분자식
- C11H14N4O4
- 평균 분자량
- 266.25 g/mol
- 단동위원소 질량
- 266.10150493
개요
Tubercidin is an N-glycosylpyrrolopyrimidine that is adenosine in which the in the 5-membered ring that is not attached to the ribose moiety is replaced by a carbon. Tubercidin is produced in the culture broth of Streptomyces tubericidus. It has a role as an antimetabolite, an antineoplastic agent and a bacterial metabolite. It is a ribonucleoside, a N-glycosylpyrrolopyrimidine and an antibiotic antifungal agent.
이름 및 식별자
- 우선 이름
- Tubercidin
- IUPAC
- (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- 영어명
- TUBERCIDIN
- 분자식
- C11H14N4O4
- 분자량
- 266.25
이름 및 동의어
tubercidin7-Deazaadenosine69-33-0Sparsomycin ATubercidineU-10071M351LCX45Y7H-Pyrrolo(2,3-d)pyrimidine, 4-amino-7-beta-D-ribofuranosyl-7-beta-D-Ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine4-Amino-7-beta-D-ribofuranosyl-7H-pyrrolo(2,3-d)pyrimidine7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-beta-D-ribofuranosyl-7H-Pyrrolo(2,3-d)pyrimidine, 4-amino-7beta-D-ribofuranosyl-
이름 더 보기
(2R,3R,4S,5R)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolb120121CS-2599nsc56408ski26996Aids0519837-Deaza-Ar
CHEBI:48267DTXSID701018946NSC-564087-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineU 10071(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol(2R,3R,4S,5R)-2-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-5-(hydroxymethyl)oxolane-3,4-diolDeazaadenosine
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- -1.3
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 334
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 247 · 247-248 °C (decomp)(Solv: water (7732-18-5))
- 끓는 점
- 409.46 °C · 409.46°C (rough estimate)
- 밀도
- 1.2896 · 1.2896 (rough estimate)
- 굴절률
- 1.834 · 1.8340 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.44 · 12.44±0.70(Predicted)
- 색상
- 회백색
- Merck
- 13 · 13,9875
- BRN
- 38498 · 38498
- 안정성
- 흡습성
- InChIKey
- HDZZVAMISRMYHH-UIRWVKCDSA-N
화학적 성질
White crystal
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information7H-Pyrrolo2,3-dpyrimidin-4-amine, 7-.beta.-D-ribofuranosyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 2 (100%)
안전 데이터
- wgk
- 3
- rtecs
- UY8870000
- ridadr
- UN 3462 6.1/PG 2
- 독성
- LD50 i.v. in mice: 45 mg/kg (Anzai)
- HS 번호
- 29419090
- risk_code
- 28
- hazard_code
- T+
- safety_code
- 36/37/39-45
- 포장분류
- II
- 위험 등급
- 6.1(a)
- F 고인화성물질
- 10
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Antimetabolites that are useful in cancer chemotherapy.
응용 분야
용도Tubercidin is a nucleoside metabolite first isolated from Streptomyces tubericidus. Tubercidin, like other nucleosides, is a broad spectrum, potent chemotherapeutic agent active against viruses, bacteria, fungi, protozoans and tumours. Tubercidin acts at a diverse range of sites, such as RNA processing, nucleic acid and protein synthesis, and acts as a nucleoside mimic of adenosine.
상·하류 제품 정보
하류 제품
공급사100 곳
韶远科技(上海)有限公司4000665055 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
관련 반응
6건
화합물 노트
불러오는 중…