Account Methotrexate-alpha-alanine
- Catalog No. :
- ACVXTI525
- CAS No. :
- 116819-28-4
- Molecular Formula :
- C23H27N9O6
- Molecular Weight :
- 525.53
IUPAC Name:(S)-5-(((S)-1-carboxyethyl)amino)-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-oxopentanoic acid
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Product Information
| Product Name | Methotrexate-alpha-alanine |
|---|---|
| IUPAC Name | (S)-5-(((S)-1-carboxyethyl)amino)-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-oxopentanoic acid |
| Molecular Formula | C23H27N9O6 |
| Molecular Weight | 525.53 |
| SMILES | O=C(O)CC[C@H](NC(C1=CC=C(N(CC2=NC3=C(N)N=C(N)N=C3N=C2)C)C=C1)=O)C(N[C@H](C(O)=O)C)=O |
| InChI Key | IYWOCQLKOJVCQN-NHYWBVRUSA-N |
| Synonym | Mtx-ala;methotrexate-alpha-alanine;L-Alanine, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-α-glutamyl-;Methotrexate alpha alanine,Methotrexatealphaalanine |
| CAS No. | 116819-28-4 |
Synthetic Route by SureRoute
2. ACVXTI525 Molecular Building Block Synthetic Route
(S)-2-((S)-4-Carboxy-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanamido)pentanedioic acid
(S)-2-((S)-4-Carboxy-4-((S)-4-carboxy-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanamido)butanamido)pentanedioic acid
(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamic acid hydrate(1:x)