Basic information
- CAS
125991-51-7- Standard SMILES
Nc1nc(N)c2c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2n1- InChIKey
WLGCEMWNUHSIIS-AWEZNQCLSA-N- Molecular formula
- C21H24N6O5
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.18081789
Overview
a novel antifolate being evaluated for chemotherapy of lung cancer
Names & identifiers
- Preferred name
- Tnp 351
- IUPAC
- (2S)-2-[[4-[3-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioic acid
- English name
- TNP 351
- Molecular formula
- C21H24N6O5
- Molecular weight
- 440.45
Names & synonyms
Tnp-351125991-51-7Tnp 35148GO5ZA420DTXSID30155032RefChem:190244DTXCID9077523N-(4-(3-(2,4-Diamino-7H-pyrrolo(2,3-d)pyrimidin-5-yl)propyl)benzoyl)glutamic acid(2S)-2-[[4-[3-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioic acidN-{4-[3-(2,4-diamino-7h-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl}-l-glutamic acidUNII-48GO5ZA420L-Glutamic acid, N-[4-[3-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]-
Show more names
N-[4-[3-(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]-L-glutamic acid
L-GLUTAMIC ACID, N-(4-(3-(2,4-DIAMINO-7H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)PROPYL)BENZOYL)-N-(4-(3-(2,4-Diamino-1H-pyrrolo(2,3-d)pyrimidin-5-yl)propyl)benzoyl)-L-glutamic acidorb1701513SCHEMBL5300564SCHEMBL6673549AKOS040747542(4-(3-(2,4-diamino-1H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl)benzoyl)-L-glutamic acidDA-78519
Database identifiers
- CAS
125991-51-7- PubChem CID
- 5487322
- DTXSID
DTXSID30155032- UNII
- 48GO5ZA420
- Nikkaji
- J373.867A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 671
Physicochemical properties
- FDA UNII
- 48 GO5ZA420 · 48GO5ZA420
Chemistry & industry
Applications
UsesTNP-351 is an antifolate. TNP-351, a dihydrofolate reductase (DHFR) inhibitor, has potent antitumor activity against not only leukemia cells but also solid tumor cells in vitro and in vivo[1].
Upstream & downstream products
Upstream raw materials
Suppliers6 total
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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）4008200310 15002144251 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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