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PRN1008

CAT: 1596-AR-P32604-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-P32604-05Size:150
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1575596-77-8
Molecular Formula
C36H40FN9O3
Molecular Weight
665.77
API Name
Prn1008

Chemical Information

(S,E)-2-(3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4-methyl-4-(4-(oxetan-3-yl)piperazin-1-yl)pent-2-enenitrile
CAS Number1575596-77-8
PubChem CID73388819
IUPAC Name(E)-2-[(3S)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile
Molecular FormulaC36H40FN9O3
Molecular Weight665.8
XLogP3.4
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count49
Formal Charge0
Complexity1230
SMILES
CC(C)(/C=C(\C#N)/C(=O)N1CCC[C@@H](C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N)N6CCN(CC6)C7COC7
InChI
InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m0/s1
InChIKey
LCFFREMLXLZNHE-GRBCXPRBSA-N
Chemical Structure
2D Structure
2D structure of (S,E)-2-(3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4-methyl-4-(4-(oxetan-3-yl)piperazin-1-yl)pent-2-enenitrile
CAS: 1575596-77-8
CID: 73388819
Formula: C36H40FN9O3
MW: 665.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight665.8
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass665.32381433
Monoisotopic Mass665.32381433
Topological Polar Surface Area139 Ų
Heavy Atom Count49
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3844450-01PRN1008
A19999-10PRN1008 10mg
A19999-100PRN1008 100mg
A19999-5PRN1008 5mg
A19999-50PRN1008 50mg
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A19999-1Rilzabrutinib (PRN1008) 1mg
A19999-25Rilzabrutinib (PRN1008) 25mg
A19999-10mM-DRilzabrutinib (PRN1008) 10mM * 1mL in DMSO

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