Catalog No.:AA01EOPL

1338780-86-1 | AU1235

Name: Name:AU1235
Brand: AABLOCKS
SKU: AA01EOPL
Rating: 90 (10 reviews)

Pack Size

Purity

Availability

Price(USD)

Quantity

1mg

95%

1 week

$135.00 $95.00

- +

2mg

95%

1 week

$170.00 $119.00

- +

5mg

95%

1 week

$284.00 $199.00

- +

10mg

95%

1 week

$410.00 $287.00

- +

25mg

95%

1 week

$651.00 $456.00

- +

50mg

95%

1 week

$918.00 $643.00

- +

100mg

95%

1 week

$1,269.00 $888.00

- +

500mg

95%

1 week

$2,480.00 $1,736.00

- +

Technical Information
Properties
Literature
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Download SDS

Technical Information

Catalog Number:

AA01EOPL

Chemical Name:

AU1235

CAS Number:

1338780-86-1

Molecular Formula:

C17H19F3N2O

Molecular Weight:

324.3408

MDL Number:

MFCD31382178

SMILES:

O=C(Nc1ccc(c(c1F)F)F)NC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3

Properties

Computed Properties

Complexity:

445

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties.

Journal: Bioorganic & medicinal chemistry 20130501

Title: Inhibition of mycolic acid transport across the Mycobacterium tuberculosis plasma membrane.

Journal: Nature chemical biology 20120401

Title: Infectious diseases: Transporter targeted in tuberculosis.

Journal: Nature chemical biology 20120316

Title: The structure-activity relationship of urea derivatives as anti-tuberculosis agents.

Journal: Bioorganic & medicinal chemistry 20110915

Title: McNeil MB, et al. Multiple Mutations in Mycobacterium tuberculosis MmpL3 Increase Resistance to MmpL3 Inhibitors. mSphere. 2020;5(5):e00985-20. Published 2020 Oct 14.

Title: Grzegorzewicz AE, et al. Inhibition of mycolic acid transport across the Mycobacterium tuberculosis plasma membrane. Nat Chem Biol. 2012;8(4):334-341. Published 2012 Feb 19.

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Tags:1338780-86-1 Molecular Formula|1338780-86-1 MDL|1338780-86-1 SMILES|1338780-86-1 AU1235

Catalog No.: AA01EOPL

1338780-86-1 | AU1235

Pack Size： 1mg

Purity： 95%

1 week

$135.00 $95.00

Pack Size： 2mg

Purity： 95%

1 week

$170.00 $119.00

Pack Size： 5mg

Purity： 95%

1 week

$284.00 $199.00

Pack Size： 10mg

Purity： 95%

1 week

$410.00 $287.00

Pack Size： 25mg

Purity： 95%

1 week

$651.00 $456.00

Pack Size： 50mg

Purity： 95%

1 week

$918.00 $643.00

Pack Size： 100mg

Purity： 95%

1 week

$1,269.00 $888.00

Pack Size： 500mg

Purity： 95%

1 week

$2,480.00 $1,736.00

Quantity

- +

Add to Card

Order Now

bulk Quotation Request

Technical Information

Catalog Number: AA01EOPL

Chemical Name: AU1235

CAS Number: 1338780-86-1

Molecular Formula: C17H19F3N2O

Molecular Weight: 324.3408

MDL Number: MFCD31382178

SMILES: O=C(Nc1ccc(c(c1F)F)F)NC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3

Properties

Complexity: 445

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 23

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.9

Literature fold

Title: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties.

Journal: Bioorganic & medicinal chemistry20130501

Title: Inhibition of mycolic acid transport across the Mycobacterium tuberculosis plasma membrane.

Journal: Nature chemical biology20120401

Title: Infectious diseases: Transporter targeted in tuberculosis.

Journal: Nature chemical biology20120316

Title: The structure-activity relationship of urea derivatives as anti-tuberculosis agents.

Journal: Bioorganic & medicinal chemistry20110915

Title: McNeil MB, et al. Multiple Mutations in Mycobacterium tuberculosis MmpL3 Increase Resistance to MmpL3 Inhibitors. mSphere. 2020;5(5):e00985-20. Published 2020 Oct 14.

Title: Grzegorzewicz AE, et al. Inhibition of mycolic acid transport across the Mycobacterium tuberculosis plasma membrane. Nat Chem Biol. 2012;8(4):334-341. Published 2012 Feb 19.