(.ALPHA.,.BETA.-METHYLENE)ADENOSINE 5'-TRIPHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H18N5O12P3
Molecular Weight	505.2082
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (.ALPHA.,.BETA.-METHYLENE)ADENOSINE 5'-TRIPHOSPHATE

Structure Search

SMILES

NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1

InChI

InChIKey=CAWZRIXWFRFUQB-IOSLPCCCSA-N

InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C11H18N5O12P3
Molecular Weight	505.2082
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Adenosine A3 receptor 24 Target ID: CHEMBL256 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16250647	Antagonist 2778	14.0 nM [IC50]
P2X purinoceptor 1 10 Target ID: CHEMBL2094 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12213051	Antagonist 2778	200.0 nM [IC50]
P2X purinoceptor 3 9 Target ID: CHEMBL2998 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12213051	Antagonist 2778	740.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:38:48 GMT 2023` Edited by `admin` on `Fri Dec 15 19:38:48 GMT 2023`
Record UNII	NYX13NT29D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(.ALPHA.,.BETA.-METHYLENE)ADENOSINE 5'-TRIPHOSPHATE

Common Name

English

ADENOSINE, 5'-(TRIHYDROGEN METHYLENEDIPHOSPHONATE), MONOANHYDRIDE WITH PHOSPHORIC ACID

Systematic Name

English

ADENOSINE, 5'-(HYDROGEN ((HYDROXY(PHOSPHONOOXY)PHOSPHINYL)METHYL)PHOSPHONATE)

Systematic Name

English

ADENOSINE 5'-(.ALPHA.,.BETA.-METHYLENETRIPHOSPHONATE)

Systematic Name

English

ADENOSINE 5'-METHYLENEDIPHOSPHONO-P2-PHOSPHATE

Systematic Name

English

ALPHA,BETA-METHYLENEADENOSINE 5'-TRIPHOSPHATE

Common Name

English

ATP, .ALPHA.,.BETA.-METHYLENE-

Systematic Name

English

(.ALPHA.,.BETA.-METHYLENE)ADENOSINE TRIPHOSPHATE

Systematic Name

English

.ALPHA.,.BETA.-METHYLENE-ATP

Systematic Name

English

AMPCPP

Common Name

English

.ALPHA.,.BETA.-METHYLENE 5'-ATP

Systematic Name

English

ADENOSINE, 5'-METHYLENEDIPHOSPHONATE, ANHYDRIDE WITH H3PO4

Systematic Name

English

ADENOSINE 5'-(.ALPHA.,.BETA.-METHYLENETRIPHOSPHATE)

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

230-723-9