Danicopan free base

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MedKoo CAT#: 207093

CAS#: 1903768-17-1 (free base)

Description: Danicopan, aslo known as ACH-4471 and ACH-0144471, is a highly potent, orally active Factor D inhibitor. Danicopan selectively block the alternative pathway of complement in paroxysmal nocturnal hemoglobinuria and atypical hemolytic uremic syndrome.

Chemical Structure

Danicopan free base
CAS# 1903768-17-1 (free base)

Theoretical Analysis

MedKoo Cat#: 207093
Name: Danicopan free base
CAS#: 1903768-17-1 (free base)
Chemical Formula: C26H23BrFN7O3
Exact Mass: 579.103
Molecular Weight: 580.4184
Elemental Analysis: C, 53.80; H, 3.99; Br, 13.77; F, 3.27; N, 16.89; O, 8.27

Price and Availability

Size Price Availability Quantity
100.0mg USD 1450.0 2 Weeks
200.0mg USD 2250.0 2 Weeks
500.0mg USD 3650.0 2 Weeks
1.0g USD 4650.0 2 Weeks
2.0g USD 7650.0 2 Weeks
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Related CAS #: 1903768-17-1 (free base)   Danicopan HCl    

Synonym: Danicopan; ACH-4471; ACH4471; ACH 4471; ACH-0144471; ACH 0144471; ACH0144471; Danicopan free base

IUPAC/Chemical Name: (2S,4R)-1-{[3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol1-yl]acetyl}-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine2-carboxamide


InChi Code: InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1

SMILES Code: O=C([C@H]1N(C(CN2N=C(C(C)=O)C3=C2C=CC(C4=CN=C(C)N=C4)=C3)=O)C[C@H](F)C1)NC5=NC(Br)=CC=C5

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 580.4184 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Konar M, Granoff DM. Eculizumab treatment and impaired opsonophagocytic
killing of meningococci by whole blood from immunized adults. Blood. 2017 Aug
17;130(7):891-899. doi: 10.1182/blood-2017-05-781450. Epub 2017 Jun 19. PubMed
PMID: 28630122; PubMed Central PMCID: PMC5561903.

2: Yuan X, Gavriilaki E, Thanassi JA, Yang G, Baines AC, Podos SD, Huang Y, Huang
M, Brodsky RA. Small-molecule factor D inhibitors selectively block the
alternative pathway of complement in paroxysmal nocturnal hemoglobinuria and
atypical hemolytic uremic syndrome. Haematologica. 2017 Mar;102(3):466-475. doi:
10.3324/haematol.2016.153312. Epub 2016 Nov 3. PubMed PMID: 27810992; PubMed
Central PMCID: PMC5394948.