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PROTAC PTK6 ligand-1

CAT: 0931-T77928-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T77928-01Size:5 mg
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CAS Number
2408341-98-8
Target
Ligands for Target Protein for PROTAC
Related Pathways
PROTAC
Bioactivity
PROTAC PTK6 ligand-1 serves as an intermediate in the synthesis of BTK kinase inhibitors [1] and is utilized in the preparation of ARD-61 [2].
Smiles
C([C@H](C(C)C)C1=CC(C)=NO1)(=O)N2[C@H](C(N[C@@H](CC(O)=O)C3=CC=C(C=C3)C4=C(C)N=CS4)=O)C[C@@H](O)C2
Molecular Formula
C27H32N4O6S
Molecular Weight
540.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC PTK6 ligand-1
CAS Number2408341-98-8
PubChem CID156701347
IUPAC Name(3S)-3-[[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carbonyl]amino]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoic acid
Molecular FormulaC27H32N4O6S
Molecular Weight540.6
XLogP2.6
Topological Polar Surface Area174
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity853
SMILES
CC1=NOC(=C1)[C@@H](C(C)C)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC(=O)O)C3=CC=C(C=C3)C4=C(N=CS4)C)O
InChI
InChI=1S/C27H32N4O6S/c1-14(2)24(22-9-15(3)30-37-22)27(36)31-12-19(32)10-21(31)26(35)29-20(11-23(33)34)17-5-7-18(8-6-17)25-16(4)28-13-38-25/h5-9,13-14,19-21,24,32H,10-12H2,1-4H3,(H,29,35)(H,33,34)/t19-,20+,21+,24-/m1/s1
InChIKey
ALLAYPNFQHTUKN-MDAIXWLXSA-N
Chemical Structure
2D Structure
2D structure of PROTAC PTK6 ligand-1
CAS: 2408341-98-8
CID: 156701347
Formula: C27H32N4O6S
MW: 540.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.6
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass540.20425593
Monoisotopic Mass540.20425593
Topological Polar Surface Area174 Ų
Heavy Atom Count38
Formal Charge0
Complexity853
Isotope Atom Count0
Defined Atom Stereocenter Count4
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

CatalogName
GTR19231329PROTAC PTK6 ligand-1
HY-163216PROTAC PTK6 ligand-O-4,4-dimethylpiperidine-Boc
GTR19261828-01PROTAC PTK6 ligand-O-C2-O-piperidine-Boc
HY-163224(S) -PROTAC PTK6 ligand-O-C2-O-piperidine-Boc
HY-163215(S) -PROTAC PTK6 ligand-O-4,4-dimethylpiperidine-Boc
HY-163218PROTAC PTK6 ligand-1- (2S,4R) -O-CH2-O-hygric acid
HY-163217PROTAC PTK6 ligand-2,7-diazaspiro[3.5]nonane-Boc
HY-163214(S) -PROTAC PTK6 ligand-1- (2S,4R) -O-CH2-O-hygric acid
MBS5800352PROTAC CDK9 ligand-1
BUP04747-01PROTAC BRD4 ligand-1

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