PI3K/HDAC-IN-1

CAT: 0931-T12455-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T12455-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2361418-52-0

Target

HDAC, PI3K

Related Pathways

PI3K/Akt/mTOR signaling, Chromatin/Epigenetic, DNA Damage/DNA Repair

Bioactivity

PI3K/HDAC-IN-1 is a potent dual inhibitor of PI3K and HDAC, with IC50 values of 8.1 nM and 1.4 nM, respectively.

Smiles

O(CCCCCCC(NO)=O)C=1C2=C(C=C(C1)C=3C=C(F)C(OC)=NC3)C(C)=NC=N2

Molecular Formula

C22H25FN4O4

Molecular Weight

428.46

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

PI3K/Hdac-IN-1

CAS Number	2361418-52-0
PubChem CID	138454792
IUPAC Name	7-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyheptanamide
Molecular Formula	C22H25FN4O4
Molecular Weight	428.5
XLogP	3.2
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	31
Formal Charge	0
Complexity	558

SMILES

CC1=C2C=C(C=C(C2=NC=N1)OCCCCCCC(=O)NO)C3=CC(=C(N=C3)OC)F

InChI

InChI=1S/C22H25FN4O4/c1-14-17-9-15(16-10-18(23)22(30-2)24-12-16)11-19(21(17)26-13-25-14)31-8-6-4-3-5-7-20(28)27-29/h9-13,29H,3-8H2,1-2H3,(H,27,28)

InChIKey

BQKQDMVFQZHPJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2361418-52-0

CID: 138454792

Formula: C22H25FN4O4

MW: 428.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	428.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	428.18598345
Monoisotopic Mass	428.18598345
Topological Polar Surface Area	106 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	558
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T62912-01	PI3K/HDAC-IN-2
T207683-01	PI3K/HDAC-IN-4
T87154-01	PI3K/HDAC-IN-3
T79710-01	PI3Kα/HDAC6-IN-1
T211563-01	PI3Kδ/HDAC6-IN-1
T87158-01	PI3Kα-IN-1
T12462-01	PI3Kδ-IN-1
T1826-01	PI3K-IN-1
T62948-01	PI3Kβ-IN-1
T63497-01	PI3Kδ/γ-IN-1

Alternative Products

Catalog	Name
HY-128582	PI3K/HDAC-IN-1
HY-172889	PI3K/HDAC-IN-4
HY-146159	PI3K/HDAC-IN-2
GTR19234783-01	PI3K/HDAC-IN-3
sc-364584	PI3K/HDAC Inhibitor
bs-60077C-01	CUDC-907 --- PI3K/HDAC dual inhibitor
GTR19185153-01	PI3Kδ/γ-IN-1
BUP09463-01	PI3K-IN-1
GTR19234778-01	PI3Kα-IN-1
HY-101921-01	PI3Kδ-IN-1

PI3K/HDAC-IN-1

Chemical Information

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