D-myo-Inositol 1,3,4,5-tetrakis(phosphate) ammonium salt - Moligand™ , CAS No.102850-29-3

CAS: 102850-29-3 Cat. No.: D343604 Peso molecular: 636.32

GRADE & PURITY Moligand™

Synonyms

myo-Inositol 1,3,4,5-tetraphosphate | 1bwn | Inositol-1,3,4,5-tetraphosphate | IP4 | CIPFCGZLFXVXBG-CNWJWELYSA-N | 1w1d | SCHEMBL9387400 | ((1R,2R,4R,5S)-2,4-BIS(OXIDANYL)-3,5,6-TRIPHOSPHONOOXY-CYCLOHEXYL) DIHYDROGEN PHOSPHATE | HY-W127317 | 1D-myo-inosit

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

A precursor of inositol 1,3,4-trisphosphate which increases calcium entry across the plasma membrane. It is a proposed regulator of intracellular calcium by control of plasma membrane transport of calcium ions.

Specifications

Sinónimos

myo-Inositol 1, 3, 4, 5-tetraphosphate | 1bwn | Inositol-1, 3, 4, 5-tetraphosphate | IP4 | CIPFCGZLFXVXBG-CNWJWELYSA-N | 1w1d | SCHEMBL9387400 | ((1R, 2R, 4R, 5S)-2, 4-BIS(OXIDANYL)-3, 5, 6-TRIPHOSPHONOOXY-CYCLOHEXYL) DIHYDROGEN PHOSPHATE | HY-W127317 | 1D-myo-inosit

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Nombres e identificadores

• Sonrisas canónicas: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O
• IUPAC Name: [(1S,2S,4S,5R)-2,4-dihydroxy-3,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
• InChIKey: CIPFCGZLFXVXBG-FTSGZOCFSA-N
• INCHI: 1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/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
• Isómeros SMILES: [C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
• WGK Alemania: 3
• Peso molecular: 636.32
• Reaxy-Rn: 30575990
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30575990&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase 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
• Clase: 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 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 - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: 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: Not available

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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Discover Target: AKT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

T47D (39041 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MDA-MB-231 (73002 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Itpr3 Inositol 1,4,5-trisphosphate receptor type 3 (14 Activities)

Discover Target: Itpr3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Itpka Inositol-trisphosphate 3-kinase A (9 Activities)

Discover Target: Itpka

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Irs1 Insulin receptor substrate 1 (6 Activities)

Discover Target: Irs1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cyth3 Cytohesin-3 (5 Activities)

Discover Target: Cyth3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Inppl1 Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (2 Activities)

Discover Target: Inppl1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 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 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 688.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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