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Borussertib

CAT: 1568-C13709-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C13709-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1800070-77-2
SKU
C13709-5mg
Target
Akt
Applications
PI3K/Akt/mTOR
Smiles
C=CC (=O) NC1=CC2=C (C=C1) NC (=O) N2C3CCN (CC3) CC4=CC=C (C=C4) C5=C (C=C6C (=N5) C=CNC6=O) C7=CC=CC=C7
Molecular Formula
C36H32N6O3
Additionnal Information
Borussertib is a covalent-allosteric inhibitor of protein kinase Akt with an IC50 of 0.8 nM and a Ki of 2.2 nM for WT Akt.
Storage Conditions
3 years -20°C powder

Chemical Information

Borussertib
CAS Number1800070-77-2
PubChem CID122668091
IUPAC NameN-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]prop-2-enamide
Molecular FormulaC36H32N6O3
Molecular Weight596.7
XLogP4.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count45
Formal Charge0
Complexity1120
SMILES
C=CC(=O)NC1=CC2=C(C=C1)NC(=O)N2C3CCN(CC3)CC4=CC=C(C=C4)C5=C(C=C6C(=N5)C=CNC6=O)C7=CC=CC=C7
InChI
InChI=1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h2-14,17,20-21,27H,1,15-16,18-19,22H2,(H,37,44)(H,38,43)(H,40,45)
InChIKey
HXBRBOYWXDLHDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Borussertib
CAS: 1800070-77-2
CID: 122668091
Formula: C36H32N6O3
MW: 596.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.7
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass596.25358890
Monoisotopic Mass596.25358890
Topological Polar Surface Area107 Ų
Heavy Atom Count45
Formal Charge0
Complexity1120
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

Alternative Products

CatalogName
BA8676-5Borussertib
A13364-50Borussertib 50mg
A13364-5Borussertib 5mg
A13364-25Borussertib 25mg
A13364-1Borussertib 1mg
A13364-100Borussertib 100mg
A13364-10Borussertib 10mg
A13364-10mM-DBorussertib 10mM * 1mL in DMSO

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