UK 2A

Iupac Name：[(3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate

CAS No.: 167173-85-5

Molecular Weight：514.531

Modify Date.: 2022-02-11 19:01

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1. Names and Identifiers

1.1 Name: UK 2A
1.2 Synonyms: (+)-UK-2A (3S,6S,7R,8R)-3-[[(3-Hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl 2-methylpropanoate (3S,6S,7R,8R)-8-benzyl-3-(3-hydroxy-4-methoxypicolinamido)-6-methyl-4,9-dioxo-1,5-di-oxonan-7-yl isobutyrate (3S,6S,7R,8R)-8-benzyl-3-(3-hydroxy-4-methoxypicolinamido)-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl isobutyrate Antibiotic UK 2A Isobutyric acid (3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-4-methoxy-pyridine-2-carbonyl)-amino]-6-methyl-4,9-dioxo-[1,5]dioxonan-7-yl ester Propanoic acid, 2-methyl-, (3S,6S,7R,8R)-3-[[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl ester Propanoic acid, 2-methyl-, 3-[[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl ester, [3S-(3R*,6R*,7S*,8S*)]- UK 2A UK-2A

1.3 CAS No.: 167173-85-5

1.4 CID: 468590

1.5 Molecular Formula: C26H30N2O9 (isomer)

1.6 Inchi: InChI=1S/C26H30N2O9/c1-14(2)24(31)37-22-15(3)36-26(33)18(28-23(30)20-21(29)19(34-4)10-11-27-20)13-35-25(32)17(22)12-16-8-6-5-7-9-16/h5-11,14-15,17-18,22,29H,12-13H2,1-4H3,(H,28,30)/t15-,17+,18-,22-/m0/s1

1.7 InChkey: MLGCATYQZVMGBG-PBWVOLNLSA-N

1.8 Canonical Smiles: CC1C(C(C(=O)OCC(C(=O)O1)NC(=O)C2=NC=CC(=C2O)OC)CC3=CC=CC=C3)OC(=O)C(C)C

1.9 Isomers Smiles: C[C@H]1[C@@H]([C@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=NC=CC(=C2O)OC)CC3=CC=CC=C3)OC(=O)C(C)C

2. Properties

3.1 Density: 1.33±0.1 g/cm3 (20 oC 760 Torr),

3.1 Solubility: Very 微溶 (0.29 g/L) (25 oC),

3. Use and Manufacturing

4.1 Definition: ChEBI: A lactone which is 9-methyl-1,5-dioxonane-2,6-dione substituted by a benzyl group at position 8, a [(3-hydroxy-4-methoxypyridine-2-yl)carbonyl]amino group at position 3 and an isobutyryloxy group at position 7. It is isolated from the mycelia cake of <ital Streptomyces sp. 517-02 and exhibits potent antifungal activity. UK 2ASupplier

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Other Information

5.0 Definition: ChEBI: A lactone which is 9-methyl-1,5-dioxonane-2,6-dione substituted by a benzyl group at position 8, a [(3-hydroxy-4-methoxypyridine-2-yl)carbonyl]amino group at position 3 and an isobutyryloxy group at position 7. It is isolated from the mycelia cake of

6. Computational chemical data

Molecular Weight: 514.531g/mol
Molecular Formula: C₂₆H₃₀N₂O₉
Compound Is Canonicalized: True
XLogP3-AA: 3.6
Exact Mass: 514.19513054
Monoisotopic Mass: 514.19513054
Complexity: 814
Rotatable Bond Count: 8
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 10
Topological Polar Surface Area: 150
Heavy Atom Count: 37
Defined Atom Stereocenter Count: 4
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1

7. Recommended Suppliers

Global3SuppliersView all >>

PharmOrgsyn

Tel:+86-21-38228826

UK-2A

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/25

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Changzhou Hopschain Chemical Co.,Ltd

Tel:86-519-85528066

UK-2A

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/25

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SHANGHAI RESUPERPHARMTECH CO.LTD Manufacturer

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(3S,6S,7R,8R)-8-benzyl-3-{[(3-hydroxy-4-methoxypyridin-2-yl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl2-methylpropanoate

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/04/01

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