Cycloguanil pamoate , Dihydrofolate reductase inhibitor, CAS No.609-78-9, Dihydrofolate reductase inhibitor

CAS: 609-78-9 Cat. No.: C670984 Molecular Weight: 891.8 PubChem CID: 443381

Synonyms

Cycloguanil pamoate | Embonato de cicloguanil [INN-Spanish] | Cycloguanil pamoate (USAN) | CN-14,329-23A | 4,6-Diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-s-triazine pamoate | UNII-TCO0SY4N3D | PAM-MR-807-23a | CYCLOGUANIL PAMOATE [MI] | Cycloguan

Storage

Room temperature

Specifications

Synonyms

Cycloguanil pamoate | Embonato de cicloguanil [INN-Spanish] | Cycloguanil pamoate (USAN) | CN-14, 329-23A | 4, 6-Diamino-1-(p-chlorophenyl)-1, 2-dihydro-2, 2-dimethyl-s-triazine pamoate | UNII-TCO0SY4N3D | PAM-MR-807-23a | CYCLOGUANIL PAMOATE [MI] | Cycloguan

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Dihydrofolate reductase inhibitor

Names and Identifiers

• Canonical Smiles: CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
• IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
• InChIKey: LUNRMKZYOGNOTR-UHFFFAOYSA-N
• INCHI: 1S/C23H16O6.2C11H14ClN5/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-6H,1-2H3,(H4,13,14,15,16)
• Isomeric SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
• PubChem CID: 443381
• Molecular Weight: 891.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Naphthols and derivatives Salicylic acid and derivatives Dicarboxylic acids and derivatives Vinylogous acids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: 2-naphthalenecarboxylic acid - 2-naphthol - Salicylic acid or derivatives - Hydroxybenzoic acid - Dicarboxylic acid or derivatives - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y