CC-3240

CAT: 0013-GTR19236002-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19236002-01Size:10 mg

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

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Description

CC-3240 (compound 13) is a CaMKK2 molecular glue degrader derived from CC-8977, exhibiting potent activity with an IC50 of 9 nM. This tool compound is valuable for probing CaMKK2 biology in cellular and biochemical assays, supporting research in areas such as metabolic and neurological disease pathways.

CAS Number

2922675-91-8

Field of Research

Cell Biology, Pharmacology & Drug Discovery

Smiles

O (CCCCCCCCCC (N[C@H] (C (=O) N1[C@H] (C (NCC2=CC=C (C=C2) C=3SC=NC3C) =O) C[C@@H] (O) C1) [C@] (C) (C) C) =O) C4=CC5=C (C (=NC=N5) C6=CC (=C (C (O) =O) C=C6) C7CCCC7) C=C4

Molecular Formula

C52H64N6O7S

Molecular Weight

917.17

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-cyclopentyl-4-{7-[(9-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}nonyl)oxy]quinazolin-4-yl}benzoic acid

CAS Number	2922675-91-8
PubChem CID	168199705
IUPAC Name	2-cyclopentyl-4-[7-[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecoxy]quinazolin-4-yl]benzoic acid
Molecular Formula	C52H64N6O7S
Molecular Weight	917.2
XLogP	9.9
Topological Polar Surface Area	212
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	21
Heavy Atom Count	66
Formal Charge	0
Complexity	1570

SMILES

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCOC4=CC5=C(C=C4)C(=NC=N5)C6=CC(=C(C=C6)C(=O)O)C7CCCC7)O

InChI

InChI=1S/C52H64N6O7S/c1-33-47(66-32-56-33)36-19-17-34(18-20-36)29-53-49(61)44-27-38(59)30-58(44)50(62)48(52(2,3)4)57-45(60)16-10-8-6-5-7-9-13-25-65-39-22-24-41-43(28-39)54-31-55-46(41)37-21-23-40(51(63)64)42(26-37)35-14-11-12-15-35/h17-24,26,28,31-32,35,38,44,48,59H,5-16,25,27,29-30H2,1-4H3,(H,53,61)(H,57,60)(H,63,64)/t38-,44+,48-/m1/s1

InChIKey

OXICLXLJBMPGTO-LMIZGRGHSA-N

Chemical Structure

2D Structure

CAS: 2922675-91-8

CID: 168199705

Formula: C52H64N6O7S

MW: 917.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	917.2
XLogP3	9.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	21
Exact Mass	916.45571958
Monoisotopic Mass	916.45571958
Topological Polar Surface Area	212 Å²
Heavy Atom Count	66
Formal Charge	0
Complexity	1570
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-163064-01	CC-3240
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T25211-01	CC 1014
444045-01	CC 0651

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