Cas no 106400-81-1 (Lometrexol)

Lometrexol structure
Lometrexol structure
Product Name:Lometrexol
CAS No:106400-81-1
MF:C21H25N5O6
MW:443.453104734421
CID:162212
PubChem ID:135413518
Update Time:2025-04-19

Lometrexol Chemical and Physical Properties

Names and Identifiers

    • L-Glutamic acid,N-[4-[2-[(6R)-2-amino-3,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]-
    • Lometrexol
    • L-Glutamic acid,N-[4-[2-[(6R)-2-amino-3,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl]e...
    • Lometrexol NEW
    • (R)-6-DDATHF
    • L-Glutamic acid,N-(4-(2-((6R)-2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-D)pyrimidin-6-yl)ethyl)benzoyl)
    • L-Glutamic acid,N-(4-(2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-D)pyrimidin-6-yl)ethyl)benzoyl)-,(R)
    • Lometrexolum [inn-latin]
    • N-[4-[2-[[(6R)-2-Amino-3,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin]-6-yl]ethyl]benzoyl]-L-glutamic acid
    • LY 264618
    • Lometrexolum
    • LY 264618 hydrate
    • Lometrexol hydrate
    • (6R)-5,10-Dideaza-5,6,7,8-tetrahydrofolic acid
    • N-[4-[2-[[(R)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin]-6-yl]ethyl]benzoyl]-L-glutamic acid
    • L-Glutamic acid, N-(4-(2-((6R)-2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-D)pyrimidin-6-yl)ethyl)benzoyl)-
    • LY264618
    • NS00070452
    • (2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)formamido]pentanedioic acid
    • Q27265261
    • DTXSID50909998
    • MS-27983
    • N-[(4-{2-[(6R)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)carbonyl]-L-glutamic acid
    • NCGC00485206-02
    • N-{4-[2-(4-Hydroxy-2-imino-1,2,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl}glutamic acid
    • CCG-222045
    • HY-14521
    • DDATHF
    • (4-(2-((R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl)benzoyl)-L-glutamic acid
    • (2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioic acid
    • DDATHF-B
    • 106400-81-1
    • L-Glutamic acid, N-(4-(2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-, (R)-
    • L-Glutamic acid, N-[4-[2-[(6R)-2-amino-3,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]-
    • T-64
    • CS-0003423
    • (2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioic acid
    • SCHEMBL18530
    • LOMETREXOL [INN]
    • 6P3AVY8A7Q
    • N-(P-(2-((R)-2-AMINO-3,4,5,6,7,8-HEXAHYDRO-4-OXOPYRIDO(2,3-D)PYRIMIDIN-6-YL)ETHYL)BENZOYL)-L-GLUTAMATE
    • Lometrexol [INN:BAN]
    • LOMETREXOL [WHO-DD]
    • DB12769
    • BDBM22590
    • NCGC00485206-01
    • AKOS040741996
    • CHEMBL34412
    • L-GLUTAMIC ACID, N-(4-(2-(2-AMINO-3,4,5,6,7,8-HEXAHYDRO-4-OXOPYRIDO(2,3-D)PYRIMIDIN-6-YL)ETHYL)BENZOYL)-, (R)-
    • UNII-6P3AVY8A7Q
    • Lometrexol(LY 264618)
    • LY-264618
    • SCHEMBL17520098
    • 5,10-dideazatetrahydrofolic acid
    • BRD-K66036108-001-01-9
    • G12728
    • DA-75070
    • N-[4-[2-[(6R)-2-Amino-3,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]-L-glutamic Acid Hydrate; LY 264618 Hydrate;
    • Inchi: 1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1
    • InChI Key: ZUQBAQVRAURMCL-DOMZBBRYSA-N
    • SMILES: O=C1C2=C(N=C(N)N1)NC[C@H](CCC1C=CC(C(N[C@H](C(=O)O)CCC(=O)O)=O)=CC=1)C2

Computed Properties

  • Exact Mass: 443.18000
  • Monoisotopic Mass: 443.18
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 10
  • Complexity: 831
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 183A^2
  • XLogP3: 0.3

Experimental Properties

  • Density: 1.56
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.709
  • Solubility: DMSO: ≥5mg/mL
  • PSA: 187.50000
  • LogP: 1.72700
  • Solubility: DMSO: ≥5mg/mL

Lometrexol Security Information

  • Hazardous Material transportation number:UN 2811 6.1 / PGIII
  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: T
  • Storage Condition:2-8°C

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