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Poly(Disperse Red 13 acrylate) , CAS No.142656-03-9, Activator of IP 3R1;Activator of IP 3R2;Activator of IP 3R3
Basic Description
Synonyms
(1R,2R,3S,4R,5R,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)] | 1D-myo-Inositol 1,4,5-trisphosphate | inositol 1,4,5-trisphosphate | Inositol triphosphate (6CI,7CI) | CMC_10501 | d-myo-inositol-1,4,5-triphosphate | 1btn | CMC_72
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
ACTIVATOR
Mechanism of action
Activator of IP 3R1;Activator of IP 3R2;Activator of IP 3R3
Product Description
Description
NLO polymer
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Cyclic alcohols and derivatives - Cyclitols and derivatives
Direct Parent
Inositol phosphates
Alternative Parents
Monoalkyl phosphates Cyclohexanols Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Inositol phosphate - Monoalkyl phosphate - Cyclohexanol - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Secondary alcohol - Polyol - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.
External Descriptors
myo-inositol trisphosphate
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
INCHI
InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
InChIKey
MMWCIQZXVOZEGG-XJTPDSDZSA-N
Smiles
C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
Isomeric SMILES
[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
Alternate CAS
85166-31-0
MeSH Entry Terms
1,4,5-InsP3;1,4,5-IP3;Inositol 1,4,5-Triphosphate;Inositol 1,4,5-Trisphosphate;Myo-Inositol 1,4,5-Trisphosphate;Myoinositol 1,4,5-Triphosphate
Molecular Weight
420.1
Reaxy-Rn
8514194
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8514194&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
chloroform: soluble; toluene: soluble
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Melt Point(°C)
Tg74℃ (onset)
Molecular Weight
420.100 g/mol
XLogP3
-7.000
Hydrogen Bond Donor Count
9
Hydrogen Bond Acceptor Count
15
Rotatable Bond Count
6
Exact Mass
419.962 Da
Monoisotopic Mass
419.962 Da
Topological Polar Surface Area
261.000 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
574.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
6
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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