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P19As

CAT: 0013-GTR19277126-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277126-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
P19As is a BCR-ABL PROTAC degrader based on Asciminib, with a DC50 of approximately 200 nM for the wild-type BCR-ABL protein. It is capable of degrading the T315I mutant and demonstrates strong antiproliferative activity in BaF3-BCR-ABL (T315I) cells. P19As is applicable for research in chronic myeloid leukemia and acute lymphoblastic leukemia.
CAS Number
2635386-55-7
Smiles
O=C1C=2C (C (=O) N1C3C (=O) NC (=O) CC3) =CC=CC2NCCOCCOCCOCCN4C=C (CCCC (N[C@H]5CN (CC5) C6=C (C=C (C (NC7=CC=C (OC (Cl) (F) F) C=C7) =O) C=N6) C=8C=CNN8) =O) N=N4
Molecular Formula
C47H51ClF2N12O10
Molecular Weight
1017.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[4-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butanoylamino]pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CAS Number2635386-55-7
PubChem CID156015452
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[4-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butanoylamino]pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
Molecular FormulaC47H51ClF2N12O10
Molecular Weight1017.4
XLogP3
Topological Polar Surface Area266
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count25
Heavy Atom Count72
Formal Charge0
Complexity1860
SMILES
C1CN(C[C@@H]1NC(=O)CCCC2=CN(N=N2)CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C4=O)C5CCC(=O)NC5=O)C6=C(C=C(C=N6)C(=O)NC7=CC=C(C=C7)OC(F)(F)Cl)C8=CC=NN8
InChI
InChI=1S/C47H51ClF2N12O10/c48-47(49,50)72-33-9-7-30(8-10-33)55-43(65)29-25-35(36-13-15-53-58-36)42(52-26-29)60-17-14-31(27-60)54-39(63)6-1-3-32-28-61(59-57-32)18-20-70-22-24-71-23-21-69-19-16-51-37-5-2-4-34-41(37)46(68)62(45(34)67)38-11-12-40(64)56-44(38)66/h2,4-5,7-10,13,15,25-26,28,31,38,51H,1,3,6,11-12,14,16-24,27H2,(H,53,58)(H,54,63)(H,55,65)(H,56,64,66)/t31-,38?/m1/s1
InChIKey
LUCAXHCIOIVJQP-LERZKORDSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[4-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butanoylamino]pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CAS: 2635386-55-7
CID: 156015452
Formula: C47H51ClF2N12O10
MW: 1017.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1017.4
XLogP33
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count25
Exact Mass1016.3507699
Monoisotopic Mass1016.3507699
Topological Polar Surface Area266 Ų
Heavy Atom Count72
Formal Charge0
Complexity1860
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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