CAS 82952-64-5|Trimetrexate glucuronate

Introduction：Basic information about CAS 82952-64-5|Trimetrexate glucuronate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Trimetrexate glucuronate BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Synonyms

Common Name	Trimetrexate glucuronate
CAS Number	82952-64-5	Molecular Weight	563.55700
Density	1.305 g/cm3	Boiling Point	647ºC at 760 mmHg
Molecular Formula	C₂₅H₃₃N₅O₁₀	Melting Point	/
MSDS	/	Flash Point	345.1ºC

Names

Name	CI 898 trihydrochloride,5-Methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-2,4-quinazolinediaminetrihydrochloride
Synonym	More Synonyms

Trimetrexate glucuronate BiologicalActivity

Description	Trimetrexate glucuronate (NSC 352122) is a folic acid antagonist. Trimetrexate glucuronate affects DNA and RNA synthesis by inhibiting dihydrofolate reductase and preventing the synthesis of purine nucleotides and thymidylate. Trimetrexate glucuronate has potential anti-tumour activity[1].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Cell Cycle/DNA Damage >>Antifolate
In Vitro	Trimetrexate glucuronate (0.05-1 μM 6 h) results in a decrease in adenosine and guanosine acids and a significant increase in the pyrimidine nucleotide such as CTP, UTP of WI-L2 human lymphoblastoid cells in a dose-dependent manner[1]. Trimetrexate glucuronate (1 μM, 2 h) can reduce the level of dTTP by 29%, also decrease in the dGTP and dATP, while cause extensive inhibition of deoxyuridine incorporation into DNA in L1210 mouse leukemia cells[1].
In Vivo	Trimetrexate glucuronate (i.p., 100-225 mg/kg, daily, day 1, 5, 9) has antitumor activity in inbred DBA/2 mice with L1210 leukemia[1]. Animal Model: Inbred DBA/2 mice with L1210 leukemia[1] Dosage: 100, 150, 225 mg/kg Administration: Intraperitoneal injection; daily; day 1, 5, 9 Result: Showed the maximum lifespan T/C value of 171%. Animal Model: C57BL/6 mice with M5076 tumor[1] Dosage: 38, 62 mg/kg Administration: Intraperitoneal injection; daily; 1-9 days Result: Showed toxic (>10% early deaths) at high dose of 62 mg/kg and inactive (Lifespan T/C <130%) at lower dose of 38 mg/kg.
References	[1]. R C Jackson, et al. Biochemical pharmacology of the lipophilic antifolate, trimetrexate. Adv Enzyme Regul. 1984;22:187-206.

Chemical & Physical Properties

Density	1.305 g/cm3
Boiling Point	647ºC at 760 mmHg
Molecular Formula	C₂₅H₃₃N₅O₁₀
Molecular Weight	563.55700
Flash Point	345.1ºC
Exact Mass	563.22300
PSA	244.99000
LogP	0.84680
InChIKey	ZCJXQWYMBJYJNB-UHFFFAOYSA-N
SMILES	COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=CC(O)C(O)C(O)C(O)C(=O)O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LZ8945000

CAS REGISTRY NUMBER :: 82952-64-5

LAST UPDATED :: 199412

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C19-H23-N5-O3.C6-H10-O7

MOLECULAR WEIGHT :: 563.63

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Human

DOSE/DURATION :: 2027 ug/kg

TOXIC EFFECTS :: Vascular - BP lowering not characterized in autonomic section Gastrointestinal - other changes Blood - thrombocytopenia

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Human

DOSE/DURATION :: 4054 mg/kg/3W-I

TOXIC EFFECTS :: Blood - changes in bone marrow (not otherwise specified)

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 60 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 50 mg/kg/5D-C

TOXIC EFFECTS :: Blood - changes in leukocyte (WBC) count Blood - changes in platelet count Related to Chronic Data - changes in testicular weight

MUTATION DATA

TYPE OF TEST :: DNA damage

TEST SYSTEM :: Rodent - mouse Leukocyte

DOSE/DURATION :: 500 nmol/L

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 40,1981,1990

Synonyms

CI 898 dihydrochloride

CI 898 TRIHYDROCHLORIDE

Trimetrexate glucuronate

Recommended......