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K34C

CAT: 0931-T41151-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T41151-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
939769-93-4
Target
Integrin, Apoptosis
Related Pathways
Cytoskeletal Signaling, Apoptosis
Purity
0.9966
Bioactivity
K34C is a selective inhibitor of Integrin α5β1, which inhibits cell survival and migration, promotes apoptosis in U87MG cells, inhibits TGFβ-induced invasion, and reduces cell adhesion to fibronectin.
Smiles
C([C@H](NC(=O)C1=C(C)C=CC=C1C)C(O)=O)C2=CC=C(OCCCNC3=CC=CC=N3)C=C2
Molecular Formula
C26H29N3O4
Molecular Weight
447.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-2-[(2,6-dimethylbenzoyl)amino]-3-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]propanoic acid
CAS Number939769-93-4
PubChem CID16663328
IUPAC Name(2S)-2-[(2,6-dimethylbenzoyl)amino]-3-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]propanoic acid
Molecular FormulaC26H29N3O4
Molecular Weight447.5
XLogP4.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity598
SMILES
CC1=C(C(=CC=C1)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OCCCNC3=CC=CC=N3)C(=O)O
InChI
InChI=1S/C26H29N3O4/c1-18-7-5-8-19(2)24(18)25(30)29-22(26(31)32)17-20-10-12-21(13-11-20)33-16-6-15-28-23-9-3-4-14-27-23/h3-5,7-14,22H,6,15-17H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
InChIKey
VLNHAQFIBARCQP-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[(2,6-dimethylbenzoyl)amino]-3-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]propanoic acid
CAS: 939769-93-4
CID: 16663328
Formula: C26H29N3O4
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass447.21580641
Monoisotopic Mass447.21580641
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity598
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-150124-01K34c
HY-150124A-01K34c (hydrochloride)
MBS5802806K34c hydrochloride

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