Basic information
- CAS
64801-58-7- Standard SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)cc1- InChIKey
XYYCIYYWAVAWDS-GJZGRUSLSA-N- Molecular formula
- C24H27N9O8
- Average molar mass
- 569.5 g/mol
- Monoisotopic mass
- 569.19825885
Overview
used in antibody targeted liposomes
Names & identifiers
- Preferred name
- Methotrexate-gamma-aspartate
- IUPAC
- (2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid
- English name
- methotrexate-gamma-aspartate
- Molecular formula
- C24H27N9O8
- Molecular weight
- 569.54
Names & synonyms
Methotrexate-gamma-aspartate64801-58-7RefChem:157038(2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acidNSC-275631L-Aspartic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-gamma-glutamyl)-L-Aspartic acid, N-[N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-gamma-glutamyl]-Methotrexate-|A-aspartateXXH4TT252Aorb1703095AKOS040746106NSC 275631
Show more names
Methotrexategammaaspartate,Methotrexate gamma aspartate
((S)-4-carboxy-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanoyl)-L-aspartic acidCS-0652447T24457(2S)-2-(((4S)-4-((4-((2,4-BIS(AZANYL)PTERIDIN-6-YL)METHYL-METHYL-AMINO)PHENYL)CARBONYLAMINO)-5-OXIDANYL-5-OXIDANYLIDENE-PENTANOYL)AMINO)BUTANEDIOIC ACID2-[[4-Carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acidL-Aspartic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-gamma-glutamyl-
Database identifiers
- CAS
64801-58-7- PubChem CID
- 100255
- UNII
- XXH4TT252A
- Nikkaji
- J1.630.744K
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 277 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 963
Physicochemical properties
- Density
- 1.57 · 1.570±0.06 g/cm3(Predicted)
- pka
- 3.08 · 3.08±0.10(Predicted)
Chemistry & industry
Applications
DescriptionMethotrexate-gamma-aspartate is used in antibody targeted liposomes. It also exhibits growth inhibitory effects.
UsesMethotrexate-γ-aspartate is a Ll210 cell dihydrofolate reductase inhibitor. Methotrexate-γ-aspartate is apparently more resistant to enzymic cleavage than is methotrexate-y-glutamate. Methotrexate-γ-aspartate can be used in antibody-targeted liposomes and is promising for research of leukemic[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…