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PLX-3618

CAT: 0013-GTR19236746-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236746-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PLX-3618 is a potent monovalent degrader of BRD4 (DC50 = 12.2 nM) that operates via DCAF11-mediated ubiquitination and proteasomal degradation. It demonstrates anti-proliferative and pro-apoptotic activity in AML and other cancer cell lines, with confirmed efficacy in mouse models of acute myeloid leukemia.
CAS Number
2851986-76-8
Field of Research
Cell Biology, Epigenetics & Chromatin, Pharmacology & Drug Discovery
Purity
99.71% (May vary between batches)
Smiles
CC=1C2=C (N3C ([C@H] (CC (N) =O) N=C2C4=CC=C (C=C4) C5=CC (NC (=O) C6=C7N (N=C6) C=CC=N7) =CC=C5) =NN=C3C) SC1C
Molecular Formula
C32H27N9O2S
Molecular Weight
601.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-[4-[(9S)-9-(2-amino-2-oxoethyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-7-yl]phenyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Number2851986-76-8
PubChem CID171904683
IUPAC NameN-[3-[4-[(9S)-9-(2-amino-2-oxoethyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-7-yl]phenyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC32H27N9O2S
Molecular Weight601.7
XLogP3.1
Topological Polar Surface Area174
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count44
Formal Charge0
Complexity1100
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)N)C4=CC=C(C=C4)C5=CC(=CC=C5)NC(=O)C6=C7N=CC=CN7N=C6)C
InChI
InChI=1S/C32H27N9O2S/c1-17-18(2)44-32-27(17)28(37-25(15-26(33)42)30-39-38-19(3)41(30)32)21-10-8-20(9-11-21)22-6-4-7-23(14-22)36-31(43)24-16-35-40-13-5-12-34-29(24)40/h4-14,16,25H,15H2,1-3H3,(H2,33,42)(H,36,43)/t25-/m0/s1
InChIKey
KGEBVZGNEUJHIO-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[4-[(9S)-9-(2-amino-2-oxoethyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-7-yl]phenyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS: 2851986-76-8
CID: 171904683
Formula: C32H27N9O2S
MW: 601.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight601.7
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass601.20084231
Monoisotopic Mass601.20084231
Topological Polar Surface Area174 Ų
Heavy Atom Count44
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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