Products for Research Use Only
RegisterLogin

A1874

CAT: 0931-T5442-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T5442-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2064292-12-0
Target
Epigenetic Reader Domain, PROTACs
Related Pathways
PROTAC, Chromatin/Epigenetic
Purity
0.9952
Bioactivity
A1874 is a nutlin-based and BRD4-degrading PROTAC which induces BRD4 degradation in cells. Effective in inhibiting many cancer cell lines proliferation.
Smiles
C(#N)[C@]1([C@H]([C@H](C(NC2=C(OC)C=C(C(NCCOCCOCCOCCNC(C[C@H]3C=4N(C5=C(C(=N3)C6=CC=C(Cl)C=C6)C(C)=C(C)S5)C(C)=NN4)=O)=O)C=C2)=O)N[C@H]1CC(C)(C)C)C7=C(F)C(Cl)=CC=C7)C8=C(F)C=C(Cl)C=C8
Molecular Formula
C58H62Cl3F2N9O7S
Molecular Weight
1173.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A1874
CAS Number2064292-12-0
PubChem CID124201003
IUPAC Name(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-[4-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-methoxyphenyl]-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
Molecular FormulaC58H62Cl3F2N9O7S
Molecular Weight1173.6
XLogP8.9
Topological Polar Surface Area231
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count23
Heavy Atom Count80
Formal Charge0
Complexity2140
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCCNC(=O)C4=CC(=C(C=C4)NC(=O)[C@H]5[C@@H]([C@@]([C@@H](N5)CC(C)(C)C)(C#N)C6=C(C=C(C=C6)Cl)F)C7=C(C(=CC=C7)Cl)F)OC)C8=CC=C(C=C8)Cl)C
InChI
InChI=1S/C58H62Cl3F2N9O7S/c1-32-33(2)80-56-48(32)51(35-11-14-37(59)15-12-35)67-44(53-71-70-34(3)72(53)56)29-47(73)65-19-21-77-23-25-79-26-24-78-22-20-66-54(74)36-13-18-43(45(27-36)76-7)68-55(75)52-49(39-9-8-10-41(61)50(39)63)58(31-64,46(69-52)30-57(4,5)6)40-17-16-38(60)28-42(40)62/h8-18,27-28,44,46,49,52,69H,19-26,29-30H2,1-7H3,(H,65,73)(H,66,74)(H,68,75)/t44-,46-,49-,52+,58-/m0/s1
InChIKey
IPNTVOAQOGRLQB-JJMBTQCASA-N
Chemical Structure
2D Structure
2D structure of A1874
CAS: 2064292-12-0
CID: 124201003
Formula: C58H62Cl3F2N9O7S
MW: 1173.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1173.6
XLogP38.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count23
Exact Mass1171.352656
Monoisotopic Mass1171.352656
Topological Polar Surface Area231 Ų
Heavy Atom Count80
Formal Charge0
Complexity2140
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
PHD29212-01A1874
A18735-100A1874 100mg
A18735-25A1874 25mg
A18735-2A1874 2mg
A18735-10A1874 10mg
A18735-1A1874 1mg
A18735-50A1874 50mg
A18735-5A1874 5mg

Popular Products