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Adenophostin A

CAT: 0013-GTR19249837-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249837-01Size:50 mg
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Description
Adenophostin A is a high-affinity, potent agonist of inositol trisphosphate (IP3) receptors, effectively inducing calcium ion (Ca2+) release. It is widely used in vitro to study IP3 receptor pharmacology and calcium signaling pathways in cellular models.
CAS Number
149091-92-9
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O (P (=O) (O) O) [C@H]1[C@@H] (O[C@H] (CO) [C@H]1O[C@@H]2[C@H] (O) [C@@H] (OP (=O) (O) O) [C@H] (OP (=O) (O) O) [C@@H] (CO) O2) N3C=4C (N=C3) =C (N) N=CN4
Molecular Formula
C16H26N5O18P3
Molecular Weight
669.322
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adenophostin A

Adenophostin A is a disaccharide phosphate.

CAS Number149091-92-9
PubChem CID123695
IUPAC Name[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular FormulaC16H26N5O18P3
Molecular Weight669.3
XLogP-7
Topological Polar Surface Area358
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count22
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity1080
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N
InChI
InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1
InChIKey
RENVITLQVBEFDT-MZQFDOALSA-N
Chemical Structure
2D Structure
2D structure of Adenophostin A
CAS: 149091-92-9
CID: 123695
Formula: C16H26N5O18P3
MW: 669.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.3
XLogP3-7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count22
Rotatable Bond Count11
Exact Mass669.04856999
Monoisotopic Mass669.04856999
Topological Polar Surface Area358 Ų
Heavy Atom Count42
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-142117Adenophostin A
sc-221213Adenophostin A hexasodium Salt

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