JQAD1

CAT: 0957-E1215-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0957-E1215-02Size:25 mg

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

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Description

JQAD1 is a CRBN-dependent PROTAC that selectively targets EP300 for degradation.

CAS Number

2417097-18-6

Target

Histone Acetyltransferase

Activity

Epigenetics

Molecular Formula

C48H52F4N6O9

Storage Conditions

3 years -20°C powder

Chemical Information

12-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)amino)-N-((R)-3'-(2-((4-fluorobenzyl)((S)-1,1,1-trifluoropropan-2-yl)amino)-2-oxoethyl)-2',4'-dioxo-2,3-dihydrospiro[indene-1,5'-oxazolidin]-5-yl)dodecanamide

CAS Number	2417097-18-6
PubChem CID	162615894
IUPAC Name	12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide
Molecular Formula	C48H52F4N6O9
Molecular Weight	933.0
XLogP	7.6
Topological Polar Surface Area	192
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	20
Heavy Atom Count	67
Formal Charge	0
Complexity	1860

SMILES

C[C@@H](C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2C(=O)[C@]3(CCC4=C3C=CC(=C4)NC(=O)CCCCCCCCCCCNC5=CC6=C(C=C5)C(=O)N(C6=O)C7CCC(=O)NC7=O)OC2=O

InChI

InChI=1S/C48H52F4N6O9/c1-29(48(50,51)52)56(27-30-12-14-32(49)15-13-30)41(61)28-57-45(65)47(67-46(57)66)23-22-31-25-34(17-19-37(31)47)54-39(59)11-9-7-5-3-2-4-6-8-10-24-53-33-16-18-35-36(26-33)44(64)58(43(35)63)38-20-21-40(60)55-42(38)62/h12-19,25-26,29,38,53H,2-11,20-24,27-28H2,1H3,(H,54,59)(H,55,60,62)/t29-,38?,47+/m0/s1

InChIKey

TWCIGBYYSZQAAA-GWWVHQGYSA-N

Chemical Structure

2D Structure

CAS: 2417097-18-6

CID: 162615894

Formula: C48H52F4N6O9

MW: 933.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	933.0
XLogP3	7.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	20
Exact Mass	932.37318991
Monoisotopic Mass	932.37318991
Topological Polar Surface Area	192 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1860
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA2834-5	JQAD1
A23926-100	JQAD1 100mg
A23926-50	JQAD1 50mg
A23926-5	JQAD1 5mg
A23926-10	JQAD1 10mg

JQAD1

Chemical Information

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