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BKIDC-1553

CAT: 0013-GTR19236501-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236501-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BKIDC-1553 is an orally bioavailable small molecule with an approximate 17-hour human half-life. This bumped kinase inhibitor-derived compound acts as an antiglycolytic agent and inhibits CYP2C8 and Angiotensin Converting Enzyme. It is utilized in cancer research for in vitro and in vivo studies targeting tumor metabolism and signaling pathways.
CAS Number
1951431-34-7
Field of Research
Metabolism Research
Smiles
NC1=C2C (=NN (CC (C) (C) O) C2=NC=N1) C3=CC4=C (C=C3) C=C (OC5CC5) C=C4
Molecular Formula
C22H23N5O2
Molecular Weight
389.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bkidc-1553
CAS Number1951431-34-7
PubChem CID122442455
IUPAC Name1-[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol
Molecular FormulaC22H23N5O2
Molecular Weight389.4
XLogP3.1
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity586
SMILES
CC(C)(CN1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)C=C(C=C4)OC5CC5)N)O
InChI
InChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25)
InChIKey
NYCAEKAKFOSFFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bkidc-1553
CAS: 1951431-34-7
CID: 122442455
Formula: C22H23N5O2
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass389.18517499
Monoisotopic Mass389.18517499
Topological Polar Surface Area99.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity586
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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MBS611055-01Heterochromatin Protein 1 gamma, (CBX3, chromobox homolog 3 (HP1 gamma homolog, Drosophila), HGNC:1553, HECH, HP1-GAMMA, HP1Hs-gamma, HP1 gamma homolog, chromobox homolog 3, chromobox homolog 3 (Drosophila HP1 gamma), heterochromatin protein HP1 gamma, he
H2034-52DHeterochromatin Protein 1 gamma, (CBX3, chromobox homolog 3 (HP1 gamma homolog, Drosophila), HGNC:1553, HECH, HP1-GAMMA, HP1Hs-gamma , HP1 gamma homolog, chromobox homolog 3, chromobox homolog 3 (Drosophila HP1 gamma), heterochromatin protein HP1 gamma, heterochromatin-like protein 1)
H2034-52D-PHeterochromatin Protein 1 gamma, (CBX3, chromobox homolog 3 (HP1 gamma homolog, Drosophila), HGNC:1553, HECH, HP1-GAMMA, HP1Hs-gamma , HP1 gamma homolog, chromobox homolog 3, chromobox homolog 3 (Drosophila HP1 gamma), heterochromatin protein HP1 gamma, heterochromatin-like protein 1) (Control Peptide) discontinued

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