리조신

Rhizoxin

HCID 6437358CAS 90996-54-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1
InChIKey: OWPCHSCAPHNHAV-QIPOKPRISA-N
분자식: C35H47NO9
평균 분자량: 625.7 g/mol
단동위원소 질량: 625.32508208

이름 및 식별자

우선 이름: Rhizoxin
IUPAC: (1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dione
현지명: 리조신
영어명: RHIZOXIN(S)
분자식: C35H47NO9
분자량: 625.75

이름 및 동의어

Rhizoxin90996-54-6Antibiotic WF-1360WF-1360C1V1Y784E4NSC-332598FR-900216CHEBI:72590DTXSID20897515(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dioneNSC332598(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.0(3,5).0(11,13)]henicos-14-ene-6,19-dione

이름 더 보기

리조신E-87/101RHIZOXIN(S)rhizoxin from rhizopus sp.(2R,3S,5S,7R,8R,9E,11R,12R,13S,15S,16S,17R,18E,20E,22E)-Rhizoxin

(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-((2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl)-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo(15.3.1.0(3,5).0(11,13))henicos-14-ene-6,19-dione(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-((2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl)-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo(15.3.1.03,5.011,13)henicos-14-ene-6,19-dioneWF1360RefChem:179218DTXCID901326870NSC 332598BRN 5692896UNII-C1V1Y784E4

데이터베이스 식별자

CAS: 90996-54-6
PubChem CID: 6437358
DTXSID: DTXSID20897515
ChEMBL: CHEMBL379989
ChEBI: CHEBI:72590
UNII: C1V1Y784E4
Nikkaji: J261.799D

물성

구조 계산 물성

XLogP: 5.5
극성 표면적: 133 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 10
회전 가능 결합 수: 7
무거운 원자 수: 45
형식 전하: 0
복잡도: 1,210

실험 및 물리화학적 성질

Solubility · 3건

H2O < 1 (mg/mL)

MeOH > 50 (mg/mL)

CHC13 > 50 (mg/mL)

Optical Rotation(c = 0.5, CH3OH) [a]23D 160 ± 4°

Stability/Shelf Life · 1건

Bulk: HPLC analysis indicated that the bulk chemical is unstable under both light and dark conditions at room temperature and at 50 °C. Freezer storage is recommended. Solution: The compound is unstable in a solution of DMF/H (40/60,v/v) through 72 hours. The t was 5.2 hours.

물리화학적 성질

녹는점: 131 · 131-135°
끓는 점: 664.44 °C · 664.44°C (rough estimate)
밀도: 1.1777 · 1.1777 (rough estimate)
굴절률: 1.663 · 1.6630 (estimate)
저장 조건: -20 °C · -20°C
산도 계수 (pKa): 13.79 · 13.79±0.70(Predicted)
수용성: 12 mg/L · 12mg/L(25℃)

안전 및 규제

안전 데이터

독성: LD50 intraperitoneal in mouse: 2500ug/kg

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

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

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

Agents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES.

공급사6 곳

广州伟伯科技有限公司[email protected]

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]

BOC Sciences+1-631-485-4226 · [email protected]

TargetMol中国（陶术生物）15002134094 · [email protected]

추가 설명

정의ChEBI: An macrolide antibiotic isolated from the pathogenic plant fungus Rhizopus microsporus. It also exhibits antitumour and antimitotic activity.

연결된 노트

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