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LRE1

CAT: 0013-GTR19203619-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203619-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LRE1 is a potent, selective, and allosteric inhibitor of soluble adenylyl cyclase (sAC) . This research tool is valuable for investigating cAMP signaling pathways in both cellular (in vitro) and animal (in vivo) models, particularly in studies of sperm motility, mitochondrial function, and pH regulation.
CAS Number
1252362-53-0
Product Name Alternative
LRE 1, LRE1, LRE-1, Adenylyl cyclase, Adenylyl cyclase (AC), Adenylylcyclase
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.91% (May vary between batches)
Solubility
DMSO:112.5 mg/mL (400.67 mM)
Smiles
Nc1nc (Cl) cc (n1) N (Cc1cccs1) C1CC1
Molecular Formula
C12H13ClN4S
Molecular Weight
280.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Chloro-N~4~-Cyclopropyl-N~4~-[(Thiophen-2-Yl)methyl]pyrimidine-2,4-Diamine
CAS Number1252362-53-0
PubChem CID47279808
IUPAC Name6-chloro-4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
Molecular FormulaC12H13ClN4S
Molecular Weight280.78
XLogP3
Topological Polar Surface Area83.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity289
SMILES
C1CC1N(CC2=CC=CS2)C3=CC(=NC(=N3)N)Cl
InChI
InChI=1S/C12H13ClN4S/c13-10-6-11(16-12(14)15-10)17(8-3-4-8)7-9-2-1-5-18-9/h1-2,5-6,8H,3-4,7H2,(H2,14,15,16)
InChIKey
PDWZXKSZLRVSEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-N~4~-Cyclopropyl-N~4~-[(Thiophen-2-Yl)methyl]pyrimidine-2,4-Diamine
CAS: 1252362-53-0
CID: 47279808
Formula: C12H13ClN4S
MW: 280.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.78
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass280.0549453
Monoisotopic Mass280.0549453
Topological Polar Surface Area83.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity289
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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