FT827

CAT: 0931-T15351-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T15351-03Size:10 mg

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

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CAS Number

1959537-86-0

Target

DUB

Related Pathways

Ubiquitination, Cell Cycle/Checkpoint, DNA Damage/DNA Repair

Purity

0.9876

Bioactivity

FT827 is a covalent inhibitor of selective ubiquitin-specific protease 7 (USP7) (Ki=4.2 μM, Kd=7.8 μM) targeting the catalytic center of the autoinhibitory apolipoprotein form of USP7 for cancer research.

Smiles

Cn1ncc2c1ncn(CC1(O)CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1NS(=O)(=O)C=C)c2=O

Molecular Formula

C27H28N6O5S

Molecular Weight

548.61

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-[2-[4-[4-hydroxy-4-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]piperidine-1-carbonyl]phenyl]phenyl]ethenesulfonamide

CAS Number	1959537-86-0
PubChem CID	121435663
IUPAC Name	N-[2-[4-[4-hydroxy-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]piperidine-1-carbonyl]phenyl]phenyl]ethenesulfonamide
Molecular Formula	C27H28N6O5S
Molecular Weight	548.6
XLogP	1.5
Topological Polar Surface Area	146
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	39
Formal Charge	0
Complexity	1060

SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5NS(=O)(=O)C=C)O

InChI

InChI=1S/C27H28N6O5S/c1-3-39(37,38)30-23-7-5-4-6-21(23)19-8-10-20(11-9-19)25(34)32-14-12-27(36,13-15-32)17-33-18-28-24-22(26(33)35)16-29-31(24)2/h3-11,16,18,30,36H,1,12-15,17H2,2H3

InChIKey

GFNJQQBUZURQMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1959537-86-0

CID: 121435663

Formula: C27H28N6O5S

MW: 548.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	548.6
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	548.18418919
Monoisotopic Mass	548.18418919
Topological Polar Surface Area	146 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	1060
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

Alternative Products

Catalog	Name
MBS5754879	FT827
A19256-5	FT827 5mg
A19256-50	FT827 50mg
A19256-1	FT827 1mg
A19256-25	FT827 25mg
A19256-100	FT827 100mg
A19256-10	FT827 10mg

FT827

Chemical Information

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