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PROTAC Her3 Degrader-8

CAT: 0013-GTR19231277-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231277-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC Her3 Degrader-8 (PP2) is a bifunctional small molecule that induces targeted degradation of the HER3 protein. It serves as a valuable chemical tool for in vitro and cellular research into HER family biology and associated oncogenic signaling pathways.
CAS Number
2103331-95-7
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
NC1=C2C (=NN (C2=NC=N1) C3CCN (CC (N[C@@H] (C (=O) N4[C@@H] (C (NCC5=CC=C (C=C5) C6=C (C) N=CS6) =O) C[C@H] (O) C4) [C@@] (C) (C) C) =O) CC3) C7=CC (NC (C=C) =O) =C (OC8=CC=CC=C8) C=C7
Molecular Formula
C49H55N11O6S
Molecular Weight
926.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC Her3 Degrader-8
CAS Number2103331-95-7
PubChem CID148838681
IUPAC Name(2R,4S)-1-[(2R)-2-[[2-[4-[4-amino-3-[4-phenoxy-3-(prop-2-enoylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC49H55N11O6S
Molecular Weight926.1
XLogP5.4
Topological Polar Surface Area251
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count15
Heavy Atom Count67
Formal Charge0
Complexity1700
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)CN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC(=C(C=C7)OC8=CC=CC=C8)NC(=O)C=C)N)O
InChI
InChI=1S/C49H55N11O6S/c1-6-39(62)55-36-22-32(16-17-38(36)66-35-10-8-7-9-11-35)42-41-45(50)52-27-53-46(41)60(57-42)33-18-20-58(21-19-33)26-40(63)56-44(49(3,4)5)48(65)59-25-34(61)23-37(59)47(64)51-24-30-12-14-31(15-13-30)43-29(2)54-28-67-43/h6-17,22,27-28,33-34,37,44,61H,1,18-21,23-26H2,2-5H3,(H,51,64)(H,55,62)(H,56,63)(H2,50,52,53)/t34-,37+,44-/m0/s1
InChIKey
OVCGHYOSRVGRMJ-RQWACUIYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC Her3 Degrader-8
CAS: 2103331-95-7
CID: 148838681
Formula: C49H55N11O6S
MW: 926.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight926.1
XLogP35.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count15
Exact Mass925.40574969
Monoisotopic Mass925.40574969
Topological Polar Surface Area251 Ų
Heavy Atom Count67
Formal Charge0
Complexity1700
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

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Alternative Products

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MBS5819647PROTAC Her3 Degrader-8
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