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115787-68-3 | 4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2,6-diamino-3,5-dihydro-7-(3-thienylmethyl)-, hydrochloride (1:1)
CAS No: 115787-68-3 Catalog No: AG000GVH MDL No:
Product Description
Catalog Number:
AG000GVH
Chemical Name:
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2,6-diamino-3,5-dihydro-7-(3-thienylmethyl)-, hydrochloride (1:1)
CAS Number:
115787-68-3
Molecular Formula:
C11H12ClN5OS
Molecular Weight:
297.7639
IUPAC Name:
2,6-diamino-7-(thiophen-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
InChI:
InChI=1S/C11H11N5OS.ClH/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7;/h1-2,4,14H,3,12H2,(H3,13,15,16,17);1H
InChI Key:
SLNICZJKQXPOJA-UHFFFAOYSA-N
SMILES:
Nc1[nH]c2c(c1Cc1cscc1)nc([nH]c2=O)N.Cl
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
297.761g/mol
Monoisotopic Mass:
297.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Evidence for a pathway independent from 2'-deoxyguanosine and reversible by IL-2 by which purine nucleoside phosphorylase inhibitors block T-cell proliferation. | Scandinavian journal of immunology 19940301 |
| Activities of two 9-deazaguanine analogue inhibitors of purine nucleoside phosphorylase, CI-972 and PD 141955, in vitro and in vivo. | Annals of the New York Academy of Sciences 19930623 |
| PD 141955 and CI-972: 9-deazaguanine analog purine nucleoside phosphorylase inhibitors. I. Suppression of the human mixed lymphocyte reaction (MLR). | Agents and actions 19930101 |
| PD 141955 and CI-972: 9-deazaguanine analog purine nucleoside phosphorylase inhibitors. II. Effects on nucleoside catabolism in human and rat blood in vitro. | Agents and actions 19930101 |
| Comparative in vitro and in vivo activities of two 9-deazaguanine analog inhibitors of purine nucleoside phosphorylase, CI-972 and PD 141955. | Biochemical pharmacology 19920901 |
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