Catalog No.:AA003AGA

1206123-37-6 | Etrasimod

Name: Name:Etrasimod
Brand: AABLOCKS
SKU: AA003AGA
Rating: 90 (10 reviews)

Pack Size

Purity

Availability

Price(USD)

Quantity

1mg

≥95%

in stock

$63.00 $44.00

- +

5mg

≥95%

in stock

$262.00 $183.00

- +

10mg

≥95%

in stock

$459.00 $321.00

- +

25mg

≥95%

in stock

$989.00 $692.00

- +

Technical Information
Properties
Literature
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Download SDS

Technical Information

Catalog Number:

AA003AGA

Chemical Name:

Etrasimod

CAS Number:

1206123-37-6

Molecular Formula:

C26H26F3NO3

Molecular Weight:

457.4847

MDL Number:

MFCD28502134

SMILES:

OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1

Properties

Computed Properties

Complexity:

695

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:

6.4

Literature

Title: Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor.

Journal: ACS medicinal chemistry letters 20141211

Title: P2Y(1) and P2Y(2) receptors are coupled to the NO/cGMP pathway to vasodilate the rat arterial mesenteric bed.

Journal: British journal of pharmacology 20020701

Title: Buzard DJ, et al. Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor. ACS Med Chem Lett. 2014 Nov 4;5(12):1313-7.

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Tags:1206123-37-6 Molecular Formula|1206123-37-6 MDL|1206123-37-6 SMILES|1206123-37-6 Etrasimod

Catalog No.: AA003AGA

1206123-37-6 | Etrasimod

Pack Size： 1mg

Purity： ≥95%

in stock

$63.00 $44.00

Pack Size： 5mg

Purity： ≥95%

in stock

$262.00 $183.00

Pack Size： 10mg

Purity： ≥95%

in stock

$459.00 $321.00

Pack Size： 25mg

Purity： ≥95%

in stock

$989.00 $692.00

Quantity

- +

Add to Card

Order Now

bulk Quotation Request

Technical Information

Catalog Number: AA003AGA

Chemical Name: Etrasimod

CAS Number: 1206123-37-6

Molecular Formula: C26H26F3NO3

Molecular Weight: 457.4847

MDL Number: MFCD28502134

SMILES: OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1

Properties

Complexity: 695

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 1

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 33

Hydrogen Bond Acceptor Count: 6

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 6.4

Literature fold

Title: Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor.

Journal: ACS medicinal chemistry letters20141211

Title: P2Y(1) and P2Y(2) receptors are coupled to the NO/cGMP pathway to vasodilate the rat arterial mesenteric bed.

Journal: British journal of pharmacology20020701

Title: Buzard DJ, et al. Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor. ACS Med Chem Lett. 2014 Nov 4;5(12):1313-7.

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