CRBN ligand-798

Name: CRBN ligand-798
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CAS No. 1448189-90-9
Cat. No. CS-0100156
Purity≥96%
MDL No.MFCD31803433

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 1448189-90-9

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General Information

CAS No. 1448189-90-9
Cat. No. CS-0100156
Purity ≥96%
MDL No. MFCD31803433
Storage Store at room temperature, keep dry and cool
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₀ClN₃O₂S
Molecular Weight 353.87
Synonym(s) None
SMILES CC1=C(C2=CC=C(CNC(=O)[C@H]3NC[C@H](O)C3)C=C2)SC=N1.Cl

Description

This hydrochloride salt features a chiral pyrrolidine core with defined (2S,4R) stereochemistry, integrating a hydroxyl group at C4 and a para-methylthiazole-substituted benzyl amide side chain. The structure combines hydrogen-bonding capacity from the amide and hydroxyl functionalities with enhanced solubility and stability under standard bench conditions.

Application

(2S,4R)-4-Hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride serves as a stereochemically defined pyrrolidine scaffold with orthogonal functional handles: a secondary amine for derivatization, a hydroxyl group for further modification or hydrogen bonding engagement, and a thiazole-bearing benzyl substituent that imparts metabolic stability and π-stacking potential. The hydrochloride salt enhances solubility and crystallinity, facilitating handling and purification in medicinal chemistry workflows.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 74.25
LogP 1.87932
H_Acceptors 5
H_Donors 3
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Functional Group Amide

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Thiazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Proteolysis Targeting Chimera Research Reagents

Biochemistry Pharmaceutical Development and Drug Discovery Research Proteolysis Targeting Chimera Research Reagents

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CRBN ligand-798

CAS No. 1448189-90-9

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