기본 정보
- CAS
39156-67-7- 표준 SMILES
C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O- InChIKey
WIULKAASLBZREV-RXPQEOCGSA-N- 분자식
- C29H39NO5
- 평균 분자량
- 481.6 g/mol
- 단동위원소 질량
- 481.28282334
개요
Cytochalasins are mycotoxins that have the ability to bind to actin filaments and block polymerization and the elongation of actin. As a result, they can change cellular morphology, inhibit cellular processes such as cell division, and cause cells to undergo apoptosis. Cytochalasins also have the ability to permeate cell membranes, prevent cellular translocation, cause cells to enucleate, and affect other aspects of biological processes unrelated to actin polymerization. Dihydrocytochalasin B is a semi-synthetic derivative of cytochalasin B and is a useful probe for studying cytochalasin binding sites. (A2910, A2911, L1913, L1916)
이름 및 식별자
- 우선 이름
- (5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-Tetradecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-2H-oxacyclotetradecino(2,3-d)isoindole-2,18(3H)-dione
- IUPAC
- (1S,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicos-12-ene-3,21-dione
- 현지명
- 디히드로사이토찰라신B
- 영어명
- Dihydrocytochalasin B
- 분자식
- C29H39NO5
- 분자량
- 481.62
이름 및 동의어
dihydrocytochalasin B39156-67-721,22-Dihydrophomin21,22-Dihydrochalasin B21,22-Dihydrocytochalasan BL9RT18CY85DTXSID501046323RefChem:404437DTXCID101528151(5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-Tetradecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-2H-oxacyclotetradecino(2,3-d)isoindole-2,18(3H)-dione15-benzyl-4,12-dihydroxy-8,14-dimethyl-13-methylidene-2H,3H,4H,5H,6H,7H,8H,9H,12H,13H,14H,14aH,15H,16H,17H,17bH-oxacyclotrideca(3,2-e)isoindole-2,17-dione254-324-4
이름 더 보기
디히드로사이토찰라신BDHCBDihidrocytochalasin BCYTOCHALASIN B, DIHYDRO21,22-Dihydrocytochalalsin BCytochalasin B, Dihydro- - CAS 39156-67-7 - Calbiochem7(S),20(R)-dihydroxy-16(R)-methyl-10-phenyl-24-oxa[14]cytochalasa-6(12),13(E)-diene-1,23-dione(7S,13E,16R,20R)-7,20-Dihydroxy-16-methyl-10-phenyl-24-oxa[14]cytochalasa-6(12),13-diene-1,23-dione
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 95.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 818
물리화학적 성질
- 녹는점
- 203 · 203-205 °C
- 끓는 점
- 727.5 · 727.5±60.0 °C(Predicted)
- 밀도
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 30 mg/ml; · DMF: 30 mg/ml; DMF:PBS (pH 7.2) (1:20): 0.05 mg/ml; DMSO: 20 mg/ml; Ethanol: 20 mg/ml
- 산도 계수 (pKa)
- 13.65 · 13.65±0.70(Predicted)
- 물리적 상태
- 흰색 고체
- 색상
- white
- InChIKey
- WIULKAASLBZREV-PEVBMUQXNA-N
- SMILES
- [C@H]1(C(=C)[C@H]([C@]2([C@]3(OC(CC[C@H](O)CCC[C@@H](C)CC=C2)=O)C(=O)N[C@@H](CC2C=CC=CC=2)[C@]13[H])[H])O)C |t:18,&1:0,3,4,5,10,15,24,32,r|
화학적 성질
white powder
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]
P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 2 (100%)
독성 정보
Treatment
Consider activated charcoal after gastrointestinal absportion. Nitroprusside is recommended to reverse peripheral ischemia secondary to vasoconstriction and for the treatment of hypertension. Anticoagulant therapy with intravenous heparin is also recommended. (A704)
Health Effects
Major biological effects of cytochalasins include inhibition of the division of cytoplasm, reversible inhibition of cell movement, induction of nuclear extrusion, inhibition of such processes as phagocytosis, platelet aggregation and clot retraction, glucose transport, thyroid secretion, and release of growth hormone. Some cytochalasins have been shown to have developmental effects. (L1916)
Exposure RoutesOral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Toxicity Summary
Cytochalasins are known to bind to the barbed, fast growing plus ends of microfilaments, which then blocks both the assembly and disassembly of individual actin monomers from the bound end. Once bound, cytochalasin essentially caps the end of the new actin filament. One cytochalasin will bind to one actin filament. By blocking the polymerization and elongation of actin, cytochalasins can change cellular morphology, inhibit cellular processes such as cell division, and cause cells to undergo apoptosis. (A2910, A2911, L1913)
화학 및 산업
용도 및 제조
UsesDihydrocytochalasin B is a semi-synthetic derivative of cytochalasin B and is a useful probe for studying cytochalasin binding sites. (L1916)
응용 분야
용도Dihydrocytochalasin B is a cell morphology and motility and inducer.
공급사32 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [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]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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