ChemicalBook--->CAS DataBase List--->1252362-53-0

1252362-53-0

1252362-53-0 Structure

1252362-53-0 Structure
IdentificationBack Directory
[Name]

LRE1
[CAS]

1252362-53-0
[Synonyms]

LRE1
LRE1 - RU-0204277
LRE1 >=98% (HPLC)
2,4-Pyrimidinediamine, 6-chloro-N4-cyclopropyl-N4-(2-thienylmethyl)-
[Molecular Formula]

C12H13ClN4S
[MDL Number]

MFCD23148480
[MOL File]

1252362-53-0.mol
[Molecular Weight]

280.78
Chemical PropertiesBack Directory
[Boiling point ]

532.6±60.0 °C(Predicted)
[density ]

1.496±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: 10mg/mL, clear
[form ]

Solid
[pka]

4.32±0.10(Predicted)
[color ]

White to off-white
[InChIKey]

PDWZXKSZLRVSEH-UHFFFAOYSA-N
[SMILES]

ClC1=CC(N(C2CC2)CC3=CC=CS3)=NC(N)=N1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

T15787, also known as LRE1, is a novel specific and allosteric inhibitor of soluble adenylyl cyclase (sAC), binding to the bicarbonate activator binding site and inhibiting sAC via a unique allosteric mechanism, preventing sAC-dependent processes in cellular and physiological systems.
[Uses]

LRE1 is a specific and allosteric inhibitor of soluble adenylyl cyclase.
[References]

[1] Ramos-Espiritu L, et al. Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase. Nat Chem Biol. 2016 Oct;12(10):838-44. DOI:10.1038/nchembio.2151
Spectrum DetailBack Directory
[Spectrum Detail]

LRE1(1252362-53-0)1HNMR
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