Products for Research Use Only
RegisterLogin

Pelcitoclax

CAT: 0607-BA2822-1Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA2822-1Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1619923-36-2
Form
A solid
Molecular Formula
C57H66ClF4N6O11PS4
Molecular Weight
1281.85
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Pelcitoclax

Pelcitoclax is under investigation in clinical trial NCT04210037 (Study of Combination APG-1252 Plus Paclitaxel in Patients With Relapsed/refractory Small Cell Lung Cancer).

CAS Number1619923-36-2
PubChem CID76900653
IUPAC Name3-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carbonyl]oxypropylphosphonic acid
Molecular FormulaC57H66ClF4N6O11PS4
Molecular Weight1281.9
XLogP7.5
Topological Polar Surface Area275
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count21
Rotatable Bond Count24
Heavy Atom Count84
Formal Charge0
Complexity2490
SMILES
CC1=C(C(=C(N1C(C)C)C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)F)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN7CCC(CC7)C(=O)OCCCP(=O)(O)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)S(=O)(=O)C
InChI
InChI=1S/C57H66ClF4N6O11PS4/c1-38(2)68-39(3)55(82(4,73)74)53(54(68)40-11-13-43(58)14-12-40)42-33-44(59)35-48(34-42)67-29-27-66(28-30-67)47-17-15-45(16-18-47)64-84(77,78)50-19-20-51(52(36-50)83(75,76)57(60,61)62)63-46(37-81-49-9-6-5-7-10-49)23-26-65-24-21-41(22-25-65)56(69)79-31-8-32-80(70,71)72/h5-7,9-20,33-36,38,41,46,63-64H,8,21-32,37H2,1-4H3,(H2,70,71,72)/t46-/m1/s1
InChIKey
QIOCQCYXBYUYLH-YACUFSJGSA-N
Chemical Structure
2D Structure
2D structure of Pelcitoclax
CAS: 1619923-36-2
CID: 76900653
Formula: C57H66ClF4N6O11PS4
MW: 1281.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1281.9
XLogP37.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count21
Rotatable Bond Count24
Exact Mass1280.3034690
Monoisotopic Mass1280.3034690
Topological Polar Surface Area275 Ų
Heavy Atom Count84
Formal Charge0
Complexity2490
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

Alternative Products

CatalogName
UPC92336-01Pelcitoclax

Popular Products