Stattic

HCID 2779853

基本情報

CAS: 19983-44-9
標準SMILES: O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C=C2
InChIKey: ZRRGOUHITGRLBA-UHFFFAOYSA-N
分子式: C8H5NO4S
平均分子量: 211.2 g/mol
単同位体質量: 210.99392864

概要

Stattic is a member of the class of 1-benzothiophenes that is 1-benzothiophene-1,1-dioxide substituted at position 6 by a nitro group. Used as a radiosensitising agent for esophageal squamous cell carcinoma. It has a role as a radiosensitizing agent, an antineoplastic agent and a STAT3 inhibitor. It is a C-nitro compound, a sulfone and a member of 1-benzothiophenes.

名称と識別子

優先名称: Stattic
IUPAC: 6-nitro-1-benzothiophene 1,1-dioxide
英語名: Stattic
分子式: C8H5NO4S
分子量: 211.19

名称と別名

Stattic19983-44-9CHEBI:86989RefChem:1853806-Nitrobenzo[b]thiophene 1,1-dioxide6-nitro-1-benzothiophene 1,1-dioxideBenzo[b]thiophene, 6-nitro-, 1,1-dioxide6-nitro-16-Nitrobenzo[b]thiophene-1,1-dioxideC8H5NO4SMFCD001737991,1-DIOXIDE-6-NITRO-BENZO[B]THIOPHENE

名称をさらに表示

CS-1523AKOS 100115-Methyl-PGF2αBUTTPARK 97\04-73STAT3 Inhibitor VStattic USP/EP/BPStattic, 10 mM in DMSOStattic, STAT3 inhibitorStat3 inhibitor V, stattic

CHEMBL1337170Maybridge1_0051486-nitro-1lambda6-benzothiophene-1,1-dioneHMS556B22DTXSID70381575HMS3263A18CCG-222352CS-5879

データベース識別子

CAS: 19983-44-9
PubChem CID: 2779853
DTXSID: DTXSID70381575
ChEMBL: CHEMBL1337170
ChEBI: CHEBI:86989
EC Number: 633-746-6

物性

構造計算による物性

XLogP: 0.7
極性表面積: 88.3 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 375

物理化学的性質

融点: 187 · 187-188 °C
沸点: 461.1 · 461.1±45.0 °C(Predicted)
比重(密度): 1.621 · 1.621±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: 20 mg/mL · DMSO：>20mg/mL
外見: 粉
色: 白からベージュ
安定性: -20 °Cで最大3か月保存できます。 · DMSO溶液またはエタノール溶液で-20°Cで最大3か月保存できます。
InChI: InChI=1S/C8H5NO4S/c10-9(11)7-2-1-6-3-4-14(12,13)8(6)5-7/h1-5H
InChIKey: ZRRGOUHITGRLBA-UHFFFAOYSA-N
SMILES: C12=CC([N+]([O-])=O)=CC=C1C=CS2(=O)=O

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
hs_code: 2934999090
risk_code: 20/21/22-36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Stattic is a Stat3 inhibitor which exhibited potent anti-tumor and induced chemo- and radio-sensitivity in nasopharyngeal carcinoma.

上流・下流製品情報

上流原料

チアナフテン‐1,1‐ジオキシド

下流製品

2,3-dihydro-1-benzothiophen-6-amine

サプライヤー100 社

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]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

化合物ノート

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