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VZ185

CAT: 0013-GTR19202925-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202925-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VZ185 is a potent and selective PROTAC molecule that effectively degrades BRD9 and BRD7 with DC50 values of 1.8 nM and 4.5 nM, respectively. This degrader is a valuable chemical probe for studying bromodomain function in cancer biology and epigenetics research, both in cellular and in vivo models.
CAS Number
2306193-61-1
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery
Purity
99.98% (May vary between batches)
Smiles
CN1C=C (C=2C (C1=O) =CN=CC2) C3=CC (OC) =C (CN4CCN (CCCCCOC5=C (CNC (=O) [C@H]6N (C ([C@@H] (NC (=O) C7 (F) CC7) C (C) (C) C) =O) C[C@H] (O) C6) C=CC (=C5) C=8SC=NC8C) CC4) C (OC) =C3
Molecular Formula
C53H67FN8O8S
Molecular Weight
995.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,4R)-N-[(2-{[5-(4-{[2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl}piperazin-1-yl)pentyl]oxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl)methyl]-1-[(2S)-2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CAS Number2306193-61-1
PubChem CID138454768
IUPAC Name(2S,4R)-N-[[2-[5-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
Molecular FormulaC53H67FN8O8S
Molecular Weight995.2
XLogP5.1
Topological Polar Surface Area207
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count20
Heavy Atom Count71
Formal Charge0
Complexity1850
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)C4(CC4)F)O)OCCCCCN5CCN(CC5)CC6=C(C=C(C=C6OC)C7=CN(C(=O)C8=C7C=CN=C8)C)OC
InChI
InChI=1S/C53H67FN8O8S/c1-33-46(71-32-57-33)34-11-12-35(27-56-48(64)42-26-37(63)29-62(42)50(66)47(52(2,3)4)58-51(67)53(54)14-15-53)43(23-34)70-22-10-8-9-17-60-18-20-61(21-19-60)31-41-44(68-6)24-36(25-45(41)69-7)40-30-59(5)49(65)39-28-55-16-13-38(39)40/h11-13,16,23-25,28,30,32,37,42,47,63H,8-10,14-15,17-22,26-27,29,31H2,1-7H3,(H,56,64)(H,58,67)/t37-,42+,47-/m1/s1
InChIKey
ZAGCLFXBHOXXEN-JPTLTNPLSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-N-[(2-{[5-(4-{[2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl}piperazin-1-yl)pentyl]oxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl)methyl]-1-[(2S)-2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CAS: 2306193-61-1
CID: 138454768
Formula: C53H67FN8O8S
MW: 995.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight995.2
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count20
Exact Mass994.47866046
Monoisotopic Mass994.47866046
Topological Polar Surface Area207 Ų
Heavy Atom Count71
Formal Charge0
Complexity1850
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4674-10VZ185
A18685-1VZ185 1mg
HY-114322A-01Cis-VZ185
A18685-25VZ185 25mg
A18685-10VZ185 10mg
A18685-100VZ185 100mg
A18685-50VZ185 50mg
A18685-5VZ185 5mg

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