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| CAS No.: | 150399-23-8 |
|---|---|
| Name: | Pemetrexed disodium |
| Molecular Structure: | |
|
|
|
| Formula: | C20H19N5Na2O6 |
| Molecular Weight: | 471.37 |
| Synonyms: | Tifolar;L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, disodium salt;Disodium (2S)-2-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pentanedioate; |
| EINECS: | 604-733-2 |
| Melting Point: | 36-38°C |
| Boiling Point: | 160°C 20mm |
| Flash Point: | 160°C/20mm |
| Appearance: | crystalline solid |
| Hazard Symbols: |
 T, Xi
|
| Risk Codes: | 36/38-60-61-68 |
| Safety: | 36/37/39-53 |
| PSA: | 196.92000 |
| LogP: | -1.03090 |
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Chemistry
Molecular Structure of Alimta (CAS NO.150399-23-8):
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IUPAC Name: disodium (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
Empirical Formula: C20H19N5Na2O6
Molecular Weight: 471.3743
ACD/LogP: -0.70
of Rule of 5 Violations: 2
H bond acceptors: 11
H bond donors: 7
Freely Rotating Bonds: 9
Polar Surface Area: 135.75 ?2
InChI
InChI=1/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m1../s1
Smiles
c12c(c[nH]c1nc(N)[nH]c2=O)CCc1ccc(C(N[C@H](CCC(=O)[O-])C(=O)[O-])=O)cc1.[Na+].[Na+]
Product Categories: Molecular Targeted Antineoplastic; All Inhibitors; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals
Safety Profile
Hazard Codes: 
T,
Xi,
Xn
Risk Statements:
60:May impair fertility
61:May cause harm to the unborn child
68:Possible risk of irreversible effects
36/38:Irritating to eyes and skin
Alimta (CAS NO.150399-23-8) for Injection's Safety Statements:
53:Avoid exposure - obtain special instruction before use
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
Specification
Alimta , with CAS number of 150399-23-8, can be called N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid disodium salt ; Pemetrexed disodium ; N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid Disodium Salt ; L-glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, sodium salt (1:2) ; L-glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, disodium salt ; L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, disodium salt ; Disodium N-[p-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamate ; disodium (2S)-2-[({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)amino]pentanedioate ; Disodium (2S)-2-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pentanedioate . It is a crystalline solid, Alimta (CAS NO.150399-23-8) can be used as multitargeted antifolate; inhibits thymidylate synthase as well as other folate dependent enzymes.