tert-Butyl (4-(4-amino-3-(2-aminobenzo[d]oxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butyl)carbamate

Name: tert-Butyl (4-(4-amino-3-(2-aminobenzo[d]oxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butyl)carbamate
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CAS No. 1887095-80-8
Cat. No. CS-0102236
Molecule weight438.48
Purity≥95%
MDL No.None

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tert-Butyl (4-(4-amino-3-(2-aminobenzo[d]oxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butyl)carbamate|CS-0102236

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General Information

CAS No. 1887095-80-8
Cat. No. CS-0102236
Purity ≥95%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₁H₂₆N₈O₃
Molecular Weight 438.48
Synonym(s) Carbamic acid, N-[4-[4-amino-3-(2-amino-5-benzoxazolyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]butyl]-, 1,1-dimethylethyl ester
SMILES O=C(OC(C)(C)C)NCCCCN1N=C(C2=CC=C(OC(N)=N3)C3=C2)C4=C(N)N=CN=C41

Description

tert-Butyl (4-(4-amino-3-(2-aminobenzo[d]oxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butyl)carbamate features a sterically hindered tert-butyl carbamate protecting group that stabilizes the terminal amine. This derivative integrates a fused heterocyclic core with extended conjugation, enabling efficient incorporation into advanced kinase inhibitor scaffolds under standard conditions.

Application

tert-Butyl (4-(4-amino-3-(2-aminobenzo[d]oxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butyl)carbamate serves as a versatile building block for constructing complex heterocyclic scaffolds in medicinal chemistry. The molecule combines a pyrazolo[3,4-d]pyrimidine core with orthogonally protected amine functionalities, enabling sequential functionalization. Its tert-butyl carbamate group offers bench stability and ease of deprotection under mild acidic conditions, while the pendant amino groups facilitate conjugation via standard coupling reactions, making it well-suited for iterative synthesis of kinase inhibitors and other bioactive compounds.

Safety Information

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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 160
LogP 3.1038
H_Acceptors 10
H_Donors 3
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Benzooxazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

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tert-Butyl (4-(4-amino-3-(2-aminobenzo[d]oxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butyl)carbamate

CAS No. 1887095-80-8

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