≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Complement factor D-IN-1 is a potent and selective small-molecule reversible factor d inhibitor, with IC 50 s of 0.006 and 0.05 μM in FD Thioesterolytic Fluorescent Assay and a MAC Deposition Assay, respectively.
In Vitro
The highly specific S1 serine protease factor D (FD) plays a central role in the amplification of the complement alternative pathway (AP) of the innate immune system. Complement factor D-IN-1 (compound 2) shows similar potency against human and monkey FD (IC 50 s in FD thioesterolytic assays of 0.005 μM and in 50% serum MAC deposition assays of 0.011 μM for both human and monkey). MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Complement factor D-IN-1 displays an excellent oral PK profile in Sprague–Dawley rats and, following an oral dose (10 mg/kg) in Brown Norway rats, demonstrates a good distribution and sustained exposure in ocular tissues including the neural retina and the posterior eye cup (PEC), which comprises the sclera, retinal pigmented epithelium, and choroid. Mean exposure levels in plasma, the PEC, and the retina at 6 h after dosing are 0.36, 0.43, and 0.09 μM, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 0.006 μM (FD), 0.05 μM (MAC)
| Canonical Smiles | C1C2C1N(C(C2)C(=O)NC3=NC(=CC=C3)Br)C(=O)CN4C5=CC=CC=C5C(=N4)C(=O)N |
|---|---|
| IUPAC Name | 1-[2-[(1R,3S,5R)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide |
| InChIKey | CWZUTHDJLNZLCM-DFBGVHRSSA-N |
| INCHI | 1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1 |
| Isomeric SMILES | C1[C@H]2[C@@H]1N([C@@H](C2)C(=O)NC3=NC(=CC=C3)Br)C(=O)CN4C5=CC=CC=C5C(=N4)C(=O)N |
| PubChem CID | 86673884 |
| Molecular Weight | 483.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Indazole-3-carboxamides N-acylpiperidines Piperidinecarboxamides Pyrazole-5-carboxamides Pyrrolidinecarboxamides 2-heteroaryl carboxamides N-arylamides N-acylpyrrolidines 2-halopyridines Aryl bromides Benzenoids Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid amide - Indazole-3-carboxamide - Benzopyrazole - Indazole - N-acyl-piperidine - 2-piperidinecarboxamide - Piperidinecarboxamide - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-arylamide - 2-halopyridine - Aryl bromide - Aryl halide - Piperidine - Pyridine - Imidolactam - Benzenoid - Pyrazole - Tertiary carboxylic acid amide - Pyrrolidine - Azole - Heteroaromatic compound - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
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| Solubility | DMSO : 250 mg/mL (517.26 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 483.300 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 482.07 Da |
| Monoisotopic Mass | 482.07 Da |
| Topological Polar Surface Area | 123.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 753.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
