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Danegaptide

CAT: 0013-GTR19215614-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215614-01Size:10 mg
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Description
Danegaptide (GAP-134) is an orally bioavailable, second-generation gap junction modifier with a small dipeptide structure. It has been utilized in cardiovascular research, showing protective effects in preclinical models of myocardial ischemia and atrial fibrillation through modulation of cellular communication.
CAS Number
943134-39-2
Field of Research
Signal Transduction
Smiles
NCC (=O) N1CC (CC1C (O) =O) NC (=O) c1ccccc1
Molecular Formula
C14H17N3O4
Molecular Weight
291.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Danegaptide

Danegaptide is a dipeptide.

CAS Number943134-39-2
PubChem CID16656685
IUPAC Name(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid
Molecular FormulaC14H17N3O4
Molecular Weight291.30
XLogP-2.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity420
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)CN)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H17N3O4/c15-7-12(18)17-8-10(6-11(17)14(20)21)16-13(19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,20,21)/t10-,11+/m1/s1
InChIKey
BIZKIHUJGMSVFD-MNOVXSKESA-N
Chemical Structure
2D Structure
2D structure of Danegaptide
CAS: 943134-39-2
CID: 16656685
Formula: C14H17N3O4
MW: 291.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.30
XLogP3-2.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass291.12190603
Monoisotopic Mass291.12190603
Topological Polar Surface Area113 Ų
Heavy Atom Count21
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-10913Danegaptide
CS-O-48597Danegaptide D5
MBS5756012Danegaptide Hydrochloride
563931Danegaptide HCl
HY-10913SDanegaptide-d5
AR-D06292-01Danegaptide (GAP-134)
MBS3840831-01GAP-134 (Danegaptide)
AR-D06293-01Danegaptide-d5 (GAP-134-d5)

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