基本情報
- CAS
31430-18-9- 標準SMILES
COC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1- InChIKey
KYRVNWMVYQXFEU-UHFFFAOYSA-N- 分子式
- C14H11N3O3S
- 平均分子量
- 301.32 g/mol
- 単同位体質量
- 301.05211239
概要
Nocodazole is a white powder. (NTP, 1992)
名称と識別子
- 優先名称
- Nocodazole
- IUPAC
- methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
- 現地名
- ノコダゾール
- 英語名
- NOCODAZOLE
- 分子式
- C14H11N3O3S
- 分子量
- 301.32
名称と別名
nocodazole31430-18-9OncodazoleNocodazolNocodazolumR 17934NSC-238159NSC 238159R 17,934Methyl 5-(2-thenoyl)-2-benzimidazolecarbamateR-17934DTXSID9031800
名称をさらに表示
オンコダゾール5-(2-テノイル)-1H-ベンゾイミダゾール-2-カルバミン酸メチル[5-(2-チエニルカルボニル)-1H-ベンゾイミダゾール-2-イル]カルバミド酸メチルノコダゾールメチル N-[5-(チオフェン-2-カルボニル)-1H-1,3-ベンゾジアゾール-2-イル]カルバマート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
データベース識別子
- CAS
31430-18-9- PubChem CID
- 4122
- DTXSID
DTXSID9031800- ChEMBL
CHEMBL9514- ChEBI
CHEBI:34892
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 112 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 420
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 300 °C · 300 °C (dec.)
- 比重(密度)
- 1.49 · 1.490
- 屈折率
- 1.674 · 1.6740 (estimate)
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- 10 mg/mL、可溶 · DMSO: 10 mg/mL、可溶
- 酸解離定数(Pka)
- 10.67 · 10.67±0.10(Predicted)
- 外見
- 粉
- 色
- 白い
- 由来生物
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全と保護具
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.
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES.
応用分野
用途合成ベンズイミダゾール誘導 体です。コルヒチンと競合的にチューブリン に結合し、微小管の脱重合を促進することに より有糸分裂阻害作用を示します。
説明Nocodazole 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.
使用Nocodazole has been shown to enhance CRISPR genome editing efficiency. To see other small molecule CRISPR enhancers, visit sigma.com/CRISPR-enhancers.
一般的な説明White powder.
上流・下流製品情報
上流原料
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…