DC Chemicals Limited
China
Product Name: JA2-4 (NSC99657)
Price:
Purity: 98.0%
Stocking Period: 3 Day
Contact: Tony Cao

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Theophylline, 8-((2-pyrrolidinoethyl)thio)-6-thio-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

6559-86-0

6559-86-0 structure

6559-86-0 structure

Name: JA2-4 (NSC99657)
Chemical Name: 1,3-dimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
CAS Number: 6559-86-0
Molecular Formula: C₁₃H₁₉N₅OS₂
Molecular Weight: 325.45300
Create Date: 2018-06-21 14:29:45
Modify Date: 2023-01-14 09:46:32
JA2-4 (NSC99657) is a potent dose-dependent inhibitor of PARG with IC50 of 0.9 mM

Name	1,3-dimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Synonyms	Theophylline,8-(2-pyrrolidinoethyl)thio-6-thio

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

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