Products for Research Use Only
RegisterLogin

AKE-72

CAT: 0931-T80676-05Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T80676-05Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2566525-18-4
Target
Bcr-Abl
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis, Cytoskeletal Signaling
Purity
0.983
Bioactivity
AKE-72 is a Pan-BCR-ABL inhibitor with anti-leukemic activity.AKE-72 inhibits the proliferation of Ba/F3 cells expressing natural BCR-ABL or its T315I mutant.
Smiles
O=C(NC1=CC=C(C(=C1)C(F)(F)F)CN2CCN(CC)CC2)C=3C=CC=C(C#CC4=CC=CC=5NN=C(N)C45)C3
Molecular Formula
C30H29F3N6O
Molecular Weight
546.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-((3-Amino-1H-indazol-4-yl)ethynyl)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
CAS Number2566525-18-4
PubChem CID155386679
IUPAC Name3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
Molecular FormulaC30H29F3N6O
Molecular Weight546.6
XLogP5
Topological Polar Surface Area90.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity925
SMILES
CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F
InChI
InChI=1S/C30H29F3N6O/c1-2-38-13-15-39(16-14-38)19-23-11-12-24(18-25(23)30(31,32)33)35-29(40)22-7-3-5-20(17-22)9-10-21-6-4-8-26-27(21)28(34)37-36-26/h3-8,11-12,17-18H,2,13-16,19H2,1H3,(H,35,40)(H3,34,36,37)
InChIKey
XAXJKDYUXBSJJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((3-Amino-1H-indazol-4-yl)ethynyl)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
CAS: 2566525-18-4
CID: 155386679
Formula: C30H29F3N6O
MW: 546.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.6
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass546.23549406
Monoisotopic Mass546.23549406
Topological Polar Surface Area90.3 Ų
Heavy Atom Count40
Formal Charge0
Complexity925
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

Related Products

CatalogName
T7895-01Syn-Ake acetate
T89586-01AChE-IN-72
T24151-01HS-72
T86914-01MMT3-72
T86663-01HSD17B13-IN-72
T24569-01Oncrasin-72
T205657-01NLRP3-IN-72
T200200-01α-Glucosidase-IN-72
T86562-01HDAC-IN-72
TP3560-01CXCL8 (54-72)

Alternative Products

CatalogName
BA8809-5AKE-72
RG-A261957-01Syn-Ake Diacetate
MBS5758757Syn-Ake acetate
823202-99-9-01Syn-Ake (Dipeptide Diaminobutyroyl Benzylam
ABC-TC0036A-72
138595-AFTAG-72 (Tumor-associated Glycoprotein 72, TAG 72)
172153-01TAG-72 (CA 72.4, Tumor Associated GlycoProtein 72)
MBS6122470-01TAG-72 (Tumor-associated Glycoprotein 72, TAG 72) (PE)
138595-AF-BiotinTAG-72 (Tumor-associated Glycoprotein 72, TAG 72) (Biotin)
MBS6122465-01TAG-72 (Tumor-associated Glycoprotein 72, TAG 72) (AP)

Popular Products