AP-1

CAT: 0804-HY-169481-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-169481-01Size:1 mg

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Description

AP-1 is a PROTAC targeting anaplastic lymphoma kinase (ALK). AP-1 is composed of PROTAC target protein ligand CS-1243648 (red part), E3 ligase ligand Pomalidomide (HY-10984) (blue part) and PROTAC Linker 2- (Tert-Butoxy) -2-oxoacetic acid (HY-W687662) (black part).

CAS Number

3027918-96-0

UNSPSC

12352005

Target

Anaplastic lymphoma kinase (ALK) ; PROTACs

Related Pathways

PROTAC; Protein Tyrosine Kinase/RTK

Field of Research

Cancer

Purity

97.8

Smiles

O=C1NC(C(CC1)N2C(C3=C(C2=O)C(NCC(N4CCN(CC4)C5=CC=C(C(OC)=C5)NC6=NC=C(C(NC7=C(S(=O)(C(C)C)=O)C=CC=C7)=N6)Cl)=O)=CC=C3)=O)=O

Molecular Formula

C39H40ClN9O8S

Molecular Weight

830.31

References & Citations

[1]Lidong Gong, et al. Discovery of a miniaturized PROTAC with potent activity and high selectivity. Bioorg Chem. 2023 Jul:136:106556.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

4-[[2-[4-[4-[[5-Chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

CAS Number	3027918-96-0
PubChem CID	171361397
IUPAC Name	4-[[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular Formula	C39H40ClN9O8S
Molecular Weight	830.3
XLogP	5
Topological Polar Surface Area	221
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	12
Heavy Atom Count	58
Formal Charge	0
Complexity	1640

SMILES

CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C(=O)CNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)OC

InChI

InChI=1S/C39H40ClN9O8S/c1-22(2)58(55,56)31-10-5-4-8-27(31)43-35-25(40)20-42-39(46-35)44-26-12-11-23(19-30(26)57-3)47-15-17-48(18-16-47)33(51)21-41-28-9-6-7-24-34(28)38(54)49(37(24)53)29-13-14-32(50)45-36(29)52/h4-12,19-20,22,29,41H,13-18,21H2,1-3H3,(H,45,50,52)(H2,42,43,44,46)

InChIKey

MCCIEZLYIAJGSE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3027918-96-0

CID: 171361397

Formula: C39H40ClN9O8S

MW: 830.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	830.3
XLogP3	5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	12
Exact Mass	829.2409081
Monoisotopic Mass	829.2409081
Topological Polar Surface Area	221 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1640
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-153542	AP-C6
HY-10363	AP 24149
HY-130530-01	AP-C5
HY-170310	AP-238
HY-14142	AP-24226
HY-153540	AP-C4
HY-153539	AP-C3
HY-161949-01	AP-6
HY-153538-01	AP-C2
HY-W014421-01	AP-18

Alternative Products

Catalog	Name
T83856-01	AP-1
YP-W72297-01	Rabbit AP-1 (AP-1) ELISA Kit
YP-W20865-01	Mouse AP-1 (AP-1) ELISA Kit
YP-W31077-01	Rat AP-1 (AP-1) ELISA Kit
385893	AP-1 discontinued
B7133-01	AP-1 Antibody
sc-166441	AP-2β (A-1)
MBS6124640-01	Endothelin 1 (AP)
MBS6241678-01	Fibrillin 1 (AP)
MBS6257847-01	RanGAP 1 (AP)

AP-1

Chemical Information

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