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6559-86-0

6559-86-0结构式
6559-86-0结构式
  • 常用中文名:JA2-4 (NSC99657)
  • 常用英文名:JA2-4 (NSC99657)
  • CAS号:6559-86-0
  • 分子式:C13H19N5OS2
  • 分子量:325.45300
  • 发布时间:2018-06-21 14:29:45
  • 更新时间:2024-07-18 09:44:14
  • JA2-4 (NSC99657) is a potent dose-dependent inhibitor of PARG with IC50 of 0.9 mM

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英文名 1,3-dimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
英文别名 Theophylline,8-(2-pyrrolidinoethyl)thio-6-thio
密度 1.45g/cm3
沸点 537ºC at 760 mmHg
分子式 C13H19N5OS2
分子量 325.45300
闪点 278.5ºC
精确质量 325.10300
PSA 116.24000
LogP 1.45540
折射率 1.711

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6497800
CHEMICAL NAME :
Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-
CAS REGISTRY NUMBER :
6559-86-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H19-N5-O-S2
MOLECULAR WEIGHT :
325.49
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ F1 H1 IUS CS2- BT5MTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04460