2-hydroxyethanesulfonic acid;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
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![2-hydroxyethanesulfonic acid;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/df713ee231784983926d4d3a25400d3e.png "2-hydroxyethanesulfonic acid;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine")
2-hydroxyethanesulfonic acid;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
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CAS No:
82935-04-4
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Formula:
C21H29N5O7S
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Chemical Name:
2-hydroxyethanesulfonic acid;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
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Synonyms:
CI 898;CI-898;CI898;Hydrate, Trimetrexate;JB 11;JB-11;JB11;Monohydrate, Monoacetate Trimetrexate;NSC 249008;NSC 328564;NSC-249008;NSC-328564;NSC249008;NSC328564;Trimetrexate;Trimetrexate Hydrate;Trimetrexate Monohydrate, Monoacetate;JB-11 isethionate;82935-04-4;117052-25-2;Trimetrexate isethionate salt;5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)quinazoline-2,4-diamine 2-hydroxyethane-1-sulfonate;NSC 328564;Ethanesulfonic acid, 2-hydroxy-, compd. with 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-2,4-quinazolinediamine (1:1);DTXSID10922269;NSC328564;NSC-328564;Ethanesulfonic acid, 2-hydroxy-, compd. with 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-2,4-quinazolinediamine;2-Hydroxyethane-1-sulfonic acid--N-[(2,4-diimino-5-methyl-1,2,3,4-tetrahydroquinazolin-6-yl)methyl]-3,4,5-trimethoxyaniline (1/1);Ethanesulfonic acid, compd. with 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-2,4-quinazolinediamine (1:1)
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CAS No:
Description
A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against PNEUMOCYSTIS PNEUMONIA in AIDS patients. Myelosuppression is its dose-limiting toxic effect.
2-hydroxyethanesulfonic acid;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine Basic Attributes
495.6 g/mol
495.17876945 g/mol
328564
Drug Information
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)|Inhibitors of the enzyme, dihydrofolate reductase (TETRAHYDROFOLATE DEHYDROGENASE), which converts dihydrofolate (FH2) to tetrahydrofolate (FH4). They are frequently used in cancer chemotherapy. (From AMA, Drug Evaluations Annual, 1994, p2033) (See all compounds classified as Folic Acid Antagonists.)|Antimetabolites that are useful in cancer chemotherapy. (See all compounds classified as Antimetabolites, Antineoplastic.)
CI 898
Computed Properties
Molecular Weight:495.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:495.17876945
Monoisotopic Mass:495.17876945
Topological Polar Surface Area:201
Heavy Atom Count:34
Complexity:574
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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