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  2. (E)-4-[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

(E)-4-[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid

COC1C=CC=C(C)CC(C)C(O)C(C=C(C=C(C(=O)OC1C(C(C(C1(O)CC(OC(=O)C=CC(=O)O)C(C(O1)C(C)C)C)C)O)C)OC)C)C Request for Quotation
Chemical Name: (E)-4-[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid
CAS Number: 88979-61-7
Product Number: AG00454M(AGN-PC-00FRD7)
Synonyms:
MDL No:
Molecular Formula: C39H60O12
Molecular Weight: 720.8865

Identification/Properties

Computed Properties
Molecular Weight:
720.897g/mol
XLogP3:
6.4
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
11
Exact Mass:
720.408g/mol
Monoisotopic Mass:
720.408g/mol
Topological Polar Surface Area:
178A^2
Heavy Atom Count:
51
Formal Charge:
0
Complexity:
1350
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
12
Defined Bond Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


Bafilomycin C1, a potent macrolide antibiotic derived from Streptomyces griseus, is widely utilized in chemical synthesis as a crucial tool for inhibiting vacuolar-type H+-ATPase (V-ATPase) activity. This inhibition of V-ATPase plays a pivotal role in the acidicification of intracellular compartments, thus impeding various cellular processes such as endocytosis, protein trafficking, and autophagy. By specifically targeting V-ATPase, Bafilomycin C1 offers researchers a precise and effective means to manipulate cellular pH levels and investigate the intricate mechanisms governing these crucial biological pathways. In the realm of chemical synthesis, the unique inhibitory properties of Bafilomycin C1 present a valuable opportunity to explore its application in the development of novel drug delivery systems, targeted drug therapies, and the study of cellular responses to altered pH environments.