기본 정보
- CAS
103913-16-2- 표준 SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]1CO- InChIKey
LMJVXGOFWKVXAW-OXOINMOOSA-N- 분자식
- C10H13N5O3
- 평균 분자량
- 251.24 g/mol
- 단동위원소 질량
- 251.10183928
개요
Oxetanocin A is a nucleoside analogue found in Bacillus megaterium in which an adenine moiety is attached to position 2 of a of an oxetane ring which is substituted at positions 3 and 4 by hydroxymethyl groups. It has a role as an antibacterial agent, an anti-HIV agent and a bacterial metabolite. It is a primary alcohol, a diol, a member of oxetanes and a nucleoside analogue. It is functionally related to an adenine.
이름 및 식별자
- 우선 이름
- Oxetanocin
- IUPAC
- [(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
- 현지명
- 옥세타노신
- 영어명
- oxetanocin
- 분자식
- C10H13N5O3
- 분자량
- 251.24
이름 및 동의어
Oxetanocin AOxetanocin103913-16-2NK 84-02189-(3,4-bis(hydroxymethyl)-2-oxetanyl)adenine[(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol9-((2R,3R,4S)-3,4-Bis(hydroxymethyl)-2-oxetanyl)adenineCHEBI:86012DTXSID701461419-[(2R,3R,4S)-3,4-bis(Hydroxymethyl)-2-oxetanyl]adenine((2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl)methanoloxetanocin A (Oxt-A)
이름 더 보기
옥세타노신NK-84-0218(2S)-4α-(6-Amino-9H-purin-9-yl)-2α,3β-oxetanedimethanol
RefChem:168901DTXCID2068632(-)-Oxetanocin[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol(-)-oxetanocin A2,3-Oxetanedimethanol, 4-(6-amino-9H-purin-9-yl)-, (2S-(2-alpha,3-beta,4-alpha))-CHEMBL116430JF5YU6T497
데이터베이스 식별자
- CAS
103913-16-2- PubChem CID
- 72214
- DTXSID
물성
구조 계산 물성
- XLogP
- -1.4
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 307
물리화학적 성질
- 녹는점
- 197 °C · 197 °C
- 끓는 점
- 602.085 · 602.085±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.92 · 1.920±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 14.438 · 14.438±0.10(predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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.
Substances that inhibit the growth or reproduction of BACTERIA.
응용 분야
용도Oxetanocin is a potent antitumor, antiviral and antibacterial compound.
공급사1 곳
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
추가 설명
정의ChEBI: A nucleoside analogue found in Bacillus megaterium in which an adenine moiety is attached to position 2 of a of an oxetane ring which is substituted at positions 3 and 4 by hydroxymethyl groups.
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