CAS 7292-42-4 alpha,beta-Methylene-ATP (HCID 91557)

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Basic information

CAS: 7292-42-4
Standard SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
InChIKey: CAWZRIXWFRFUQB-IOSLPCCCSA-N
Molecular formula: C11H18N5O12P3
Average molar mass: 505.21 g/mol
Monoisotopic mass: 505.01648091

Overview

Adenosine 5'-[alpha,beta-methylene]triphosphate is a nucleoside triphosphate analogue.

Names & identifiers

Preferred name: alpha,beta-Methylene-ATP
IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
English name: adenosine 5'-[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate]
Molecular formula: C11H18N5O12P3
Molecular weight: 505.208203

Names & synonyms

7292-42-4alpha,beta-Methyleneadenosine 5'-triphosphatealpha,beta-Methylene-ATPNYX13NT29DDTXSID202232195'-(Hydrogen((hydroxy(phosphonooxy)phosphinyl)methyl)phosphonate)adenosineAPCPPAPPCPalpha,beta-methylATPHPCPPApp(Ch)2Palpha, beta-methylene ATP

Show more names

Einecs 230-723-9a,b-Methyleneadenosi(α,β-Methylene)adenosine triphosphateAdenosine-5'-methylenediphosphono-P2-phosphateA,B-methylene adenosine 5'-triphosphate dilithiumα,β-Methyleneadenosine5'-triphosphatetrisodiumsaltα,β-Methyleneadenosine 5'-triphosphate trisodium saltα,β-Methyleneadenosine 5'-Triphosphate DISCONTINUED, see M304165Adenosine 5'-[[hydroxy(phosphonooxy)phosphinyl]methyl] phosphonate

RefChem:555112DTXCID70145710AMPCPPalpha,beta-Methylene ATPdiphosphomethylphosphonic acid adenosyl esteralpha,beta-meATP[3H]alphabeta-meATP[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid

Properties

Computed structural properties

XLogP: -5.9
Topological polar surface area: 270 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 16
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 800

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Boiling point: 968.2 · 968.2±75.0 °C(Predicted)
Density: 2.5 · 2.50±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
solubility: DMSO (Very Slightly, Heated), Water (Slightly)
pka: 0.56 · 0.56±0.10(Predicted)
form: Solid
color: White to Off-White
FDA UNII: 13 NT29D · NYX13NT29D

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.

Applications

Usesα,β-Methyleneadenosine 5''-Triphosphate is a P2-purinoceptor agonist.

Suppliers17 total

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Aladdin Scientific[email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

Related reactions

1 records

New reaction record

HRID 363340As productuspto-grants-1999_02

Compound notes

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alpha,beta-Methylene-ATP