Product Name :
SIAIS178
Description:
SIAIS178 is a potent and selective BCR-ABL degrader based on PROTAC technology with an IC50 of 24 nM. SIAIS178 causes effective degradation of BCR-ABL protein by recruiting Von Hippel-Lindau (VHL) E3 ubiquitin ligase. SIAIS178 has anticancer activity.
CAS:
2376047-73-1
Molecular Weight:
1012.68
Formula:
C50H62ClN11O6S2
Chemical Name:
N-(2-chloro-6-methylphenyl)-2-(6-[4-(7-[(2S)-1-[(2S,4R)-4-hydroxy-2-([4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylheptanoyl)piperazin-1-yl]-2-methylpyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
Smiles :
CC1N=CSC=1C1=CC=C(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCC(=O)N2CCN(CC2)C2C=C(NC3=NC=C(S3)C(=O)NC3C(Cl)=CC=CC=3C)N=C(C)N=2)C(C)(C)C)C=C1
InChiKey:
YGQREOJIRFCRKQ-ZIBKGDFVSA-N
InChi :
InChI=1S/C50H62ClN11O6S2/c1-30-12-11-13-36(51)43(30)59-47(67)38-27-53-49(70-38)57-39-25-40(56-32(3)55-39)60-20-22-61(23-21-60)42(65)15-10-8-7-9-14-41(64)58-45(50(4,5)6)48(68)62-28-35(63)24-37(62)46(66)52-26-33-16-18-34(19-17-33)44-31(2)54-29-69-44/h11-13,16-19,25,27,29,35,37,45,63H,7-10,14-15,20-24,26,28H2,1-6H3,(H,52,66)(H,58,64)(H,59,67)(H,53,55,56,57)/t35-,37+,45-/m1/s1
Purity:
≥98% (or refer to the Certificate of Analysis)
Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition :
Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life:
≥12 months if stored properly.
Stock Solution Storage:
0 – 4 oC for 1 month or refer to the Certificate of Analysis.
Additional information:
SIAIS178 is a potent and selective BCR-ABL degrader based on PROTAC technology with an IC50 of 24 nM. SIAIS178 causes effective degradation of BCR-ABL protein by recruiting Von Hippel-Lindau (VHL) E3 ubiquitin ligase.Sorafenib Autophagy SIAIS178 has anticancer activity.|Product information|CAS Number: 2376047-73-1|Molecular Weight: 1012.68|Formula: C50H62ClN11O6S2|Chemical Name: N-(2-chloro-6-methylphenyl)-2-(6-[4-(7-[(2S)-1-[(2S,4R)-4-hydroxy-2-([4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylheptanoyl)piperazin-1-yl]-2-methylpyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide|Smiles: CC1N=CSC=1C1=CC=C(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCC(=O)N2CCN(CC2)C2C=C(NC3=NC=C(S3)C(=O)NC3C(Cl)=CC=CC=3C)N=C(C)N=2)C(C)(C)C)C=C1|InChiKey: YGQREOJIRFCRKQ-ZIBKGDFVSA-N|InChi: InChI=1S/C50H62ClN11O6S2/c1-30-12-11-13-36(51)43(30)59-47(67)38-27-53-49(70-38)57-39-25-40(56-32(3)55-39)60-20-22-61(23-21-60)42(65)15-10-8-7-9-14-41(64)58-45(50(4,5)6)48(68)62-28-35(63)24-37(62)46(66)52-26-33-16-18-34(19-17-33)44-31(2)54-29-69-44/h11-13,16-19,25,27,29,35,37,45,63H,7-10,14-15,20-24,26,28H2,1-6H3,(H,52,66)(H,58,64)(H,59,67)(H,53,55,56,57)/t35-,37+,45-/m1/s1|Technical Data|Appearance: Solid Power|Purity: ≥98% (or refer to the Certificate of Analysis)|Solubility: DMSO : 300 mg/mL (296.Derazantinib FGFR 24 mM; Need ultrasonic).PMID:33219594 |Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis|Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.|Shelf Life: ≥12 months if stored properly.|Stock Solution Storage: 0 – 4 oC for 1 month or refer to the Certificate of Analysis.|Drug Formulation: To be determined|HS Tariff Code: 382200|How to use|In Vitro:|SIAIS178 (1-100 nM; for 16 hours) significantly reduces the BCR-ABL protein levels in a concentration dependent manner. SIAIS178 significantly inhibits the phosphorylation of BCR-ABL and the substrates STAT5. SIAIS178 (1, 10, 100, 1000 nM) exerts significant antiproliferative activity in BCR-ABL driven CML cell lines. SIAIS178 retains potency and selectivity against the BCR-ABL driven cell lines.|In Vivo:|SIAIS178 (ip; 5, 15, and 45 mg/kg; 12 days) attenuates tumor progression in a dose-dependent manner, as determined by serial volumetric measurement . SIAIS178 (iv or ip; 2 mg/kg; 24 hours) has T1/2 of 3.82 and 12.35 hours and Cmax of 1165.2 nM and 30 nM for iv and ip, respectively.|Products are for research use only. Not for human use.|
