WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 533108
CAS#: ACBI1 HCl
Description: ACBI1 is a potent and cooperative degrader of SMARCA2, SMARCA4 and PBRM1. ACBI1 induced anti-proliferative effects and cell death caused by SMARCA2 depletion in SMARCA4 mutant cancer cells, and in acute myeloid leukemia cells dependent on SMARCA4 ATPase activity. These findings exemplify a successful biophysics- and structure-based PROTAC design approach to degrade high profile drug targets, and pave the way toward new therapeutics for the treatment of tumors sensitive to the loss of BAF complex ATPases.
MedKoo Cat#: 533108
Name: ACBI1 HCl
CAS#: ACBI1 HCl
Chemical Formula: C49H62Cl4FN9O7S
Exact Mass:
Molecular Weight: 1081.9494
Elemental Analysis: C, 54.40; H, 5.78; Cl, 13.11; F, 1.76; N, 11.65; O, 10.35; S, 2.96
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Related CAS #: ACBI1 HCl 2375564-55-7 (free base)
Synonym: ACBI1 HCl; ACBI1; ACBI-1; ACBI 1; ACBI1 hydrochloride
IUPAC/Chemical Name: (2S,4R)-N-(2-(2-(4-((4-(3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)phenoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide tetrahydrochloride
InChi Key: BSZZISSFMOIPHO-YDSSCHFVSA-N
InChi Code: InChI=1S/C49H58FN9O7S.4ClH/c1-30-42(67-29-53-30)32-11-12-33(26-52-45(62)39-24-34(60)28-59(39)46(63)43(48(2,3)4)54-47(64)49(50)15-16-49)41(23-32)66-22-21-65-35-13-9-31(10-14-35)27-57-17-19-58(20-18-57)38-25-37(55-56-44(38)51)36-7-5-6-8-40(36)61;;;;/h5-14,23,25,29,34,39,43,60-61H,15-22,24,26-28H2,1-4H3,(H2,51,56)(H,52,62)(H,54,64);4*1H/t34-,39+,43-;;;;/m1..../s1
SMILES Code: CC1=C(C2=CC=C(C(OCCOC3=CC=C(C=C3)CN4CCN(CC4)C5=CC(C6=C(C=CC=C6)O)=NN=C5N)=C2)CNC([C@@H]7C[C@H](CN7C([C@@H](NC(C8(F)CC8)=O)C(C)(C)C)=O)O)=O)SC=N1.[H]Cl.[H]Cl.[H]Cl.[H]Cl
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 1081.9494 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
