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Bortezomib Pinanediol Ester - ≥97%, high purity , CAS No.205393-22-2

COA

Grade & Purity:

≥97%

Cas Number: 205393-22-2
Molecular Weight: 518.46
PubChem CID: 16221476

In stock

Item Number

R331903

Grouped product items
SKU	Size	Availability	Price	Qty
R331903-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90
R331903-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90

an intermediate in the preparation of Bortezomib, a dip

View related series

Amino Acid/Protein Metabolism (1836) Boric acid and its derivatives (72) Bortezomib intermediates (1)

Basic Description

Synonyms	(1R)-(1S,2S,3R,5S)-Pinanediol-N-(N-pyrazinylphenylalaninoyl)-1-amino-3-methyl-butane-1-boronate
Specifications & Purity	≥97%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	(1R)-(1S,2S,3R,5S)-Pinanediol-N-(N-pyrazinylphenylalaninoyl)-1-amino-3-methylbutane-1-boronate is an intermediate in the preparation of Bortezomib and a dipeptidyl boronate proteasome inhibitor.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Phenylalanine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Phenylalanine and derivatives
Alternative Parents	N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Aromatic monoterpenoids Bicyclic monoterpenoids Pyrazinecarboxamides 2-heteroaryl carboxamides Fatty amides Boronic acid esters Dioxaborolanes Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Azacyclic compounds Carbonyl compounds Organic oxides Monoalkylboranes Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Aromatic monoterpenoid - Pinane monoterpenoid - Monoterpenoid - Nopinane monoterpenoid - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Monocyclic benzene moiety - Pyrazine - Benzenoid - Fatty amide - Fatty acyl - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid ester - Boronic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Oxacycle - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Alkylborane - Monoalkylborane - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	N-[(2S)-1-[[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
INCHI	InChI=1S/C29H39BN4O4/c1-18(2)13-25(30-37-24-16-20-15-23(28(20,3)4)29(24,5)38-30)34-26(35)21(14-19-9-7-6-8-10-19)33-27(36)22-17-31-11-12-32-22/h6-12,17-18,20-21,23-25H,13-16H2,1-5H3,(H,33,36)(H,34,35)/t20-,21-,23-,24+,25-,29-/m0/s1
InChIKey	HZCSTPSWJFWZHP-GQABWHEGSA-N
Isomeric SMILES	B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)C5=NC=CN=C5
PubChem CID	16221476
Molecular Weight	518.46

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in Chloroform, Dimethyl Sulfoxide, Ethanol and Ethyl Acetate
Melt Point(°C)	75-83°C (lit.)
Molecular Weight	518.500 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	518.306 Da
Monoisotopic Mass	518.306 Da
Topological Polar Surface Area	102.000 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	866.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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