기본 정보
- CAS
31430-18-9- 표준 SMILES
COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1- InChIKey
KYRVNWMVYQXFEU-UHFFFAOYSA-N- 분자식
- C14H11N3O3S
- 평균 분자량
- 301.32 g/mol
- 단동위원소 질량
- 301.05211239
개요
Nocodazole is a white powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Nocodazole
- IUPAC
- methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
- 영어명
- NOCODAZOLE
- 분자식
- C14H11N3O3S
- 분자량
- 301.32
이름 및 동의어
nocodazole31430-18-9OncodazoleNocodazolNocodazolumR 17934NSC-238159NSC 238159R 17,934Methyl 5-(2-thenoyl)-2-benzimidazolecarbamateR-17934DTXSID9031800
이름 더 보기
CS-2010NorcodazoleNocodazole,98%Nocodazole,99+%Nocodazole【M1404】
Methyl (5-(2-thienylcarbonyl))-1H-benzimidazole-2-ylcarbamateN-(5-(2-Thenoyl)-2-benzimidazolyl)carbamic acid methyl esterNSC238159R179342-Benzimidazolecarbamic acid, 5-(2-thenoyl)-, methyl esterNSC 238 159SH1WY3R615Methyl (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)carbamate
데이터베이스 식별자
- CAS
31430-18-9- PubChem CID
- 4122
- DTXSID
DTXSID9031800- ChEMBL
CHEMBL9514- ChEBI
CHEBI:34892- UNII
- SH1WY3R615
- EC Number
- 250-626-5
- Nikkaji
- J20.370J
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 420
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Solubility
less than 1 mg/mL at 59 °F (NTP, 1992)
0.3 [ug/mL] (The mean of the results at pH 7.4)
Melting Point570 °F (decomposes) (NTP, 1992)
Physical DescriptionNocodazole is a white powder. (NTP, 1992)
Collision Cross Section
180.63 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
168.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 300 °C · 300 °C (dec.)
- 밀도
- 1.49 · 1.490
- 굴절률
- 1.674 · 1.6740 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 10 mg/mL, · DMSO: 10mg/mL, 가용성
- 산도 계수 (pKa)
- 10.67 · 10.67±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- 하얀색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H341 (98.6%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 74 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of sulfur oxides and nitrogen oxides. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity ProfileNOCODAZOLE may be sensitive to heat. (NTP, 1992).
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesMuta. 2 (98.6%)
안전 및 보호
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES.
응용 분야
개요Nocodazole reversibly binds tubulin and alters tubulin-associated GTP hydrolysis as well as microtubule dynamics. While nocodazole is used to study many aspects on microtubule function, it is most commonly used to synchronize cell cycling in culture. Typically, nanomolar concentrations of nocodazole reduce both microtubule elongation and shortening velocities, resulting in arrest of cycling in a G2/M phase. Nocodazole is also used to induce the formation of Golgi ministacks in eukaryotic cells.
용도Nocodazole has been shown to enhance CRISPR genome editing efficiency. To see other small molecule CRISPR enhancers, visit sigma.com/CRISPR-enhancers.
일반 설명White powder.
상·하류 제품 정보
상류 원료
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…