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Ins(3,4,5,6)P₄ , CAS No.112791-61-4, Channel blocker of CaCC

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Ins(3,4,5,6)P₄ , CAS No.112791-61-4, Channel blocker of CaCC

COA

Grade & Purity:

Moligand™

Cas Number: 112791-61-4
PubChem CID: 121920

In stock

Item Number

I611094

Grouped product items
SKU	Size	Availability	Price	Qty
I611094-25μg	25μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
I611094-100μg	100μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,334.90

View related series

CaCC Channel blocker (11)

Basic Description

Synonyms	DTXSID80920893 \| (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] \| inositol-1,4,5,6-tetrakisphosphate \| D-myo-Inositol 3,4,5,6-tetraphosphate \| Ins(3,4,5,6)P4 \| CHEBI:15844 \| [(1S,2S,3R,4S,5R,6R)-2,3-dihydroxy
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	CHANNEL BLOCKER
Mechanism of action	Channel blocker of CaCC

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols
      - Level5 Cyclic alcohols and derivatives
        Level6 Cyclitols and derivatives
        Level7 Inositol phosphates

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 1,2-diols 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 - 1,2-diol - 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 tetrakisphosphate
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ITPR3 Tchem Inositol 1,4,5-trisphosphate receptor type 3 (1 Activities)

Discover Target: ITPR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ANO1 Tclin Anoctamin-1 (0 Activities)

Discover Target: ANO1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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,3S,4R,5S,6R)-3,4-dihydroxy-2,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
INCHI	InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1
InChIKey	MRVYFOANPDTYBY-UZAAGFTCSA-N
Smiles	O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]([C@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O
Isomeric SMILES	[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
PubChem CID	121920

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	500.080 g/mol
XLogP3	-8.100
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	8
Exact Mass	499.929 Da
Monoisotopic Mass	499.929 Da
Topological Polar Surface Area	308.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	664.000
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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