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BI-9627

CAT: 0013-GTR19203932-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203932-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BI-9627 is a potent and selective NHE1 inhibitor, reversing DMA effects with IC50 values of 6 and 31 nM in pHi recovery and platelet lysis assays. It serves as a negative control compound in cardiac ischemia-reperfusion injury research, particularly in studies utilizing isolated heart models.
CAS Number
1204329-34-9
Product Name Alternative
NHE1, BI9627, BI-9627, BI 9627, SodiumChannel, Sodium Channel, Sodium-hydrogen exchanger isoform 1
Field of Research
Pharmacology & Drug Discovery
Purity
99.77% (May vary between batches)
Solubility
DMSO:80 mg/mL (224.5 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (9.26 mM)
Smiles
CC (=O) N1CCC (CC1) c1ccc (cc1C (F) (F) F) C (=O) NC (N) =N
Molecular Formula
C16H19F3N4O2
Molecular Weight
356.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl)guanidine

a sodium hydrogen exchanger isoform 1 (NHE1) inhibitor; structure in first source

CAS Number1204329-34-9
PubChem CID51031001
IUPAC Name4-(1-acetylpiperidin-4-yl)-N-(diaminomethylidene)-3-(trifluoromethyl)benzamide
Molecular FormulaC16H19F3N4O2
Molecular Weight356.34
XLogP1.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity538
SMILES
CC(=O)N1CCC(CC1)C2=C(C=C(C=C2)C(=O)N=C(N)N)C(F)(F)F
InChI
InChI=1S/C16H19F3N4O2/c1-9(24)23-6-4-10(5-7-23)12-3-2-11(14(25)22-15(20)21)8-13(12)16(17,18)19/h2-3,8,10H,4-7H2,1H3,(H4,20,21,22,25)
InChIKey
QMHRLXNEGYTSRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl)guanidine
CAS: 1204329-34-9
CID: 51031001
Formula: C16H19F3N4O2
MW: 356.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.34
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass356.14601035
Monoisotopic Mass356.14601035
Topological Polar Surface Area102 Ų
Heavy Atom Count25
Formal Charge0
Complexity538
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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