JA2-4 (NSC99657)

Modify Date: 2025-10-25 05:34:01

JA2-4 (NSC99657) Structure
JA2-4 (NSC99657) structure
 Common Name JA2-4 (NSC99657)
CAS Number 6559-86-0 Molecular Weight 325.45300
Density 1.45g/cm3 Boiling Point 537ºC at 760 mmHg
Molecular Formula C13H19N5OS2 Melting Point N/A
MSDS N/A Flash Point 278.5ºC

 Use of JA2-4 (NSC99657)


JA2-4 (NSC99657) is a potent dose-dependent inhibitor of PARG with IC50 of 0.9 mM

 Names

Name 1,3-dimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.45g/cm3
Boiling Point 537ºC at 760 mmHg
Molecular Formula C13H19N5OS2
Molecular Weight 325.45300
Flash Point 278.5ºC
Exact Mass 325.10300
PSA 116.24000
LogP 1.45540
Index of Refraction 1.711

 Toxicological Information

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

 Synonyms

Theophylline,8-(2-pyrrolidinoethyl)thio-6-thio
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