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经验公式(希尔记法):
C45H62N10O6 · xC2HF3O2
分子量:
839.04 (free base basis)
UNSPSC Code:
51111800
NACRES:
NA.21
MDL number:
Assay:
≥98% (HPLC)
Form:
(Powder or Lyophilized powder or film)
Storage condition:
desiccated
Quality Segment
assay
≥98% (HPLC)
form
(Powder or Lyophilized powder or film)
storage condition
desiccated
color
white to off-white
storage temp.
-10 to -25°C
SMILES string
N21[C@@H](CCC2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCC[C@@H](C1=O)NC(=O)CCc6ccccc6)CCCNC(=N)N)Cc4c5c([nH]c4)cccc5)CC3CCCCC3
InChI
1S/C45H62N10O6/c46-45(47)49-24-9-18-34-40(57)48-23-10-19-35(51-39(56)22-21-29-12-3-1-4-13-29)44(61)55-25-11-20-38(55)43(60)54-36(26-30-14-5-2-6-15-30)41(58)53-37(42(59)52-34)27-31-28-50-33-17-8-7-16-32(31)33/h1,3-4,7-8,12-13,16-17,28,30,34-38,50H,2,5-6,9-
InChI key
VATFHFJULBPYLM-ILOBPARPSA-N
Biochem/physiol Actions
Blood-brain barrier-permeable and orally active C5aR1 antagonist with 10- to 30-times higher in vivo efficacy than PMX53 in a rat colitis model.
PMX205 is a blood-brain barrier (BBB)-permeable and orally active cyclic hexapeptide that acts as a high-affinity and potent antagonist against complement C5a receptor C5aR1. Unlike its structural analog PMX53, PMX205 is resistant to intestinal metabolism and shows 10-30-times higher in vivo efficacy when administered orally (mortality rate = 1/9 with 0.1 mg/kg/day PMX205 vs. 2/10 with 1 mg/kg/day PMX53 in a rat colitis model) despite similar in vitro potency (PMX205/PMX53 pIC50 = 6.50/6.38 against 50 pM C5a by competitive binding, 9.03/8.24 against C5a-induced human PMN MPO release). PMX205 shows in vivo efficacy in animal models of AD (3-6 mg/kg/day p.o., mice), ALS (1 mg/kg/day p.o., rats), and HD (10 mg/kg/day p.o., rats).
Disclaimer
Hygroscopic
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable