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名称

Complement factor D-IN-1

分子类型

小分子

别名

补体因子D-IN-1

英文名称

Complement factor D-IN-1

货号

C651435-5mg

包装规格

5mg

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

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)

生化机理

补体因子 D-IN-1 是一种强效、选择性的小分子可逆因子 d 抑制剂，在 FD 硫酯酶荧光测定和 MAC 沉积测定中的 IC 50 s 分别为 0.006 和 0.05 μM。

CAS号

1386455-76-0

分子式

C21H19BrN6O3

分子量

483.32 g/mol

PubChem编号

86673884

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

IIUPAC 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

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

InChi Key

CWZUTHDJLNZLCM-DFBGVHRSSA-N

Smiles

C1C2C1N(C(C2)C(=O)NC3=NC(=CC=C3)Br)C(=O)CN4C5=CC=CC=C5C(=N4)C(=O)N

PubChem CID

86673884

溶解性

DMSO : 250 mg/mL (517.26 mM; Need ultrasonic)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

482.07 Da

单同位素质量Monoisotopic Mass

482.07 Da

拓扑极表面积Topological Polar Surface Area

123.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

753.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.200

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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