Name: Name:Biotin alkyne
Brand: AABLOCKS
SKU: AA00GI5Z
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00GI5Z

Chemical Name: Biotin alkyne

CAS Number: 773888-45-2

Molecular Formula: C13H19N3O2S

Molecular Weight: 281.3739

MDL Number: MFCD28385487

SMILES: C#CCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2

Properties

Complexity: 404

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 3

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 19

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.2

Downstream Synthesis Route

773888-45-2

4-3-4-(azidomethyl)benzoylphenyl-2-hydroxy-4-oxo-2-butenoicacidethylester

(Z)-2-Hydroxy-4-oxo-4-{3-4-(4-5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno3,4-dimidazol-6-yl)-pentanoylamino-methyl}-1,2,3triazol-1-ylmethyl)-benzoyl-phenyl}-but-2-enoicacidethylester

[1]BioorganicandMedicinalChemistry,2006,vol.14,p.7816-7825

35013-72-0

2450-71-7

773888-45-2

[1]OrganicLetters,2007,vol.9,p.2131-2134

[2]Patent:WO2019/243273,2019,A1.Locationinpatent:Page/Pagecolumn98-99

[3]ChemicalCommunications,2007,p.3136-3138

[4]Patent:CN110964043,2020,A.Locationinpatent:Paragraph0052;0068-0069

[5]JournalofMedicinalChemistry,2009,vol.52,p.7003-7013

[6]JournalofMedicinalChemistry,2009,vol.52,p.6494-6498

[7]JournalofMedicinalChemistry,2022,vol.65,p.460-484

[8]JournalofNaturalProducts,2010,vol.73,p.1659-1666

[9]BioorganicandMedicinalChemistry,2006,vol.14,p.7816-7825

[10]Biomacromolecules,2012,vol.13,p.350-357

[11]Tetrahedron,2018,vol.74,p.5102-5112

58-85-5

773888-45-2

[1]OrganicLetters,2007,vol.9,p.2131-2134

[2]Patent:US2016/361436,2016,A1

[3]Patent:WO2019/243273,2019,A1

[4]JournalofMedicinalChemistry,2022,vol.65,p.460-484

773888-45-2

(Z)-2-Hydroxy-4-oxo-4-{3-4-(4-5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno3,4-dimidazol-6-yl)-pentanoylamino-methyl}-1,2,3triazol-1-ylmethyl)-benzoyl-phenyl}-but-2-enoicacid

[1]BioorganicandMedicinalChemistry,2006,vol.14,p.7816-7825

773888-45-2

1014613-76-3

1014613-81-0

[1]OrganicandBiomolecularChemistry,2008,vol.6,p.523-531

773888-45-2 | Biotin alkyne