IKK-IN-1 7-51 Trifluoroacetate Smiles: CC1(C)[C@@H]2CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@H](CC[C@@]34C)C(=C)CCC=C(C)C)[C@@]2(C)CC[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Name: IKK-IN-1 7-51 Trifluoroacetate Smiles: CC1(C)[C@@H]2CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@H](CC[C@@]34C)C(=C)CCC=C(C)C)[C@@]2(C)CC[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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Description

Smiles: CC1(C)[C@@H]2CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@H](CC[C@@]34C)C(=C)CCC=C(C)C)[C@@]2(C)CC[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

10-dihydroxy-1

InChi: InChI=1S/C55H68N8O13S2/c1-8-20-75-40-12-10-13-41(28-40)76-47-30-45-44(61(6)54(69)62(45)7)29-43(47)60-78(70

InChiKey: KDCGOANMDULRCW-UHFFFAOYSA-N

IKK-IN-1 7-51 Trifluoroacetate Smiles: CC1(C)[C@@H]2CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@H](CC[C@@]34C)C(=C)CCC=C(C)C)[C@@]2(C)CC[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OIKK IN 1 is an inhibitor of IKK extracted from patent WO2002024679A1, compound example 18 13. Product information CAS Number: 406211 06 1 Molecular Weight: 431. 91 Formula: C22H26ClN3O4 Chemical Name: 7 [2 (cyclopropylmethoxy) 6 hydroxyphenyl] 5 (piperidin 4 yl) 1H,2H,4H pyrido[2,3 d][1,3]oxazin 2 one hydrochloride Smiles: Cl. OC1=CC=CC(OCC2CC2)=C1C1=CC(C2CCNCC2)=C2COC(=O)NC2=N1 InChiKey: PLLAQIZOLUOIRN UHFFFAOYSA N InChi: InChI=1S C22H25N3O4. ClH c26

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