Isopentenyl Pyrophosphate (ammonium salt) - Moligand™, ≥95% , Inhibitor of farnesyl diphosphate synthase;Inhibitor of mevalonate kinase;Gating inhibitor of TRPA1;Channel blocker of TRPV3, CAS No.116057-53-5, Inhibitor of farnesyl diphosphate synthase;Inhibitor of mevalonate kinase;Gating inhibitor of TRPA1;Channel blocker of TRPV3

CAS: 116057-53-5 Cat. No.: I671388 Molecular Weight: 297.18 PubChem CID: 14001297

GRADE & PURITY Moligand™, ≥95%

Synonyms

3-methylbut-3-en-1-yl diphosphate, triammonium salt | IPP

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-methylbut-3-en-1-yl diphosphate, triammonium salt | IPP

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

CHANNEL BLOCKER, GATING INHIBITOR, INHIBITOR

Mechanism of action

Inhibitor of farnesyl diphosphate synthase;Inhibitor of mevalonate kinase;Gating inhibitor of TRPA1;Channel blocker of TRPV3

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(=C)CCOP(=O)(O)OP(=O)(O)O.N.N.N
• IUPAC Name: azane;3-methylbut-3-enyl phosphono hydrogen phosphate
• InChIKey: JREYOWJEWZVAOR-UHFFFAOYSA-N
• INCHI: 1S/C5H12O7P2.3H3N/c1-5(2)3-4-11-14(9,10)12-13(6,7)8;;;/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8);3*1H3
• Isomeric SMILES: CC(=C)CCOP(=O)(O)OP(=O)(O)O.N.N.N
• WGK Germany: 1
• PubChem CID: 14001297
• Molecular Weight: 297.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Isoprenoid phosphates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Isoprenoid phosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoprenoid phosphates
• Alternative Parents: Organic pyrophosphates Alkyl phosphates Quaternary ammonium salts Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic pyrophosphate - Isoprenoid phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Amine - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit.
• 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

Associated Targets(Human)

TRPV3 Tchem Transient receptor potential cation channel subfamily V member 3 (1 Activities)

Discover Target: TRPV3

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

FDPS Tclin Farnesyl pyrophosphate synthase (1 Activities)

Discover Target: FDPS

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

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)

Discover Target: TRPA1

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

MVK Tchem Mevalonate kinase (1 Activities)

Discover Target: MVK

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

Chemical and Physical Properties

• Flash Point(°F): 69.8 - 75.2 °F
• Flash Point(°C): 21 - 24 °C