기본 정보
- CAS
29984-33-6- 표준 SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O- InChIKey
UDMBCSSLTHHNCD-UHTZMRCNSA-N- 분자식
- C10H14N5O7P
- 평균 분자량
- 347.22 g/mol
- 단동위원소 질량
- 347.0630848
개요
Vidarabine Phosphate is a phosphate salt form of vidarabine, a nucleoside analog with activity against herpes simplex virus and varicella zoster virus. Vidarabine is converted to a monophosphate by viral thymidine kinase and is further modified to a triphosphate form by host enzymes. Vidarabine triphosphate directly inhibits DNA polymerase and also acts as a chain terminator in DNA replication.
이름 및 식별자
- 우선 이름
- ara-AMP
- IUPAC
- [(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- 영어명
- Vidarabine monophosphate
- 분자식
- C10H14N5O7P
- 분자량
- 347.22
이름 및 동의어
29984-33-6VIDARABINE PHOSPHATEVidarabine monophosphateAra-AMPAdenine arabinoside monophosphateCL-8089-(5-O-Phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine9H-Purin-6-amine, 9-(5-O-phosphono-beta-D-arabinofuranosyl)-106XV160TZDTXSID401009318NSC-1272239-beta-D-Arabinofuranosyladenine 5'-(dihydrogen phosphate)
이름 더 보기
Vidarabine MonophasphateAra-AVidarabine Impurity 1ara-A 5'-monophosphateVidarabine Impurity 02vidarabinemonophosphatevidarabine-5’-monophosphate
Arabinofuranosyladenine MonophosphateAra AMPPhosphate, VidarabineMonophosphate, VidarabineMonophosphate, Adenine ArabinosideMonophosphate, ArabinofuranosyladenineRefChem:194229DTXCID901436144
데이터베이스 식별자
- CAS
29984-33-6- PubChem CID
- 34768
물성
구조 계산 물성
- XLogP
- -3.5
- 극성 표면적
- 186 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 481
물리화학적 성질
- 녹는점
- 213 °C · 213 °C
- 끓는 점
- 798.5 · 798.5±70.0 °C(Predicted)
- 밀도
- 2.32 · 2.32±0.1 g/cm3(Predicted)
- 저장 조건
- 0 °C · Store at 0°C
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 1.86 · 1.86±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- 수용성
- 4 mg/ml로 · 4mg/ml로 물에 용해됨
- InChI
- InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/s3
- InChIKey
- UDMBCSSLTHHNCD-GCTRTDOSNA-N
- SMILES
- O[C@H]1[C@@H]([C@@H](COP(O)(O)=O)O[C@H]1N1C=NC2C(=NC=NC1=2)N)O |&1:1,2,3,11,r|
화학적 성질
Crystalline
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- rtecs
- AU6204000
- ridadr
- 2811
- 독성
- LD50 ipr-rat: 1700 mg/kg DRFUD4 4,547,79
- HS 번호
- 29400090
- risk_code
- 20/22-40-23/24/25-36/37/38
- hazard_code
- Xn,T,Xi
- safety_code
- 37/39-24/25-45-36/37/39-22-36-26
- 포장분류
- II
- 위험 등급
- 6.1(a)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs that are chemically similar to naturally occurring metabolites, but differ enough to interfere with normal metabolic pathways. (From AMA Drug Evaluations Annual, 1994, p2033)
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
응용 분야
개요Vidarabine monophosphate, chemical name: 9-(5-O-Phosphono-beta-D-arabinofuranosyl)adenine is an anti deoxyribonucleic acid virus drug. IVidarabine triphosphate directly inhibits DNA polymerase and also acts as a chain terminator in DNA replication. An adenosine monophosphate analog in which ribose is replaced by an arabinose moiety. It is the monophosphate ester of VIDARABINE with antiviral and possibly antineoplastic properties.
용도Antiviral.
공급사100 곳
常州帝通化工有限公司+86-0519-88298848 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
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