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S55746 (hydrochloride)

CAT: 0804-HY-117288A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-117288A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S55746 hydrochloride (BCL201 hydrochloride) is a potent, orally active and selective BCL-2 inhibitor, with a Ki of 1.3 nM and a Kd of 3.9 nM. S55746 hydrochloride (BCL201 hydrochloride) has antitumor activity with low toxicity[1].
CAS Number
1448525-91-4
Product Name Alternative
BCL201 (hydrochloride)
UNSPSC
12352005
Target
Bcl-2 Family
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/S55746_hydrochloride.html
Concentration
10mM
Purity
99.66
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C(C1=C2CCCCN2C(C3=C(C(N4CC5=C(C=CC=C5)C[C@H]4CN6CCOCC6)=O)C=C(OCO7)C7=C3)=C1)N(C8=CC=C(O)C=C8)C9=CC=CC=C9.Cl
Molecular Formula
C43H43ClN4O6
Molecular Weight
747.28
References & Citations
[1]Casara P, et al. S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth. Oncotarget. 2018 Apr 13;9 (28) :20075-20088.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
Phase 1
Isoform
Bcl-2; Bcl-xL

Chemical Information

S55746 hydrochloride
CAS Number1448525-91-4
PubChem CID71696476
IUPAC NameN-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride
Molecular FormulaC43H43ClN4O6
Molecular Weight747.3
Topological Polar Surface Area96.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count54
Formal Charge0
Complexity1250
SMILES
C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6C[C@H]5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1.Cl
InChI
InChI=1S/C43H42N4O6.ClH/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44;/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2;1H/t33-;/m0./s1
InChIKey
RAUZIGXCAJHBEL-WAQYZQTGSA-N
Chemical Structure
2D Structure
2D structure of S55746 hydrochloride
CAS: 1448525-91-4
CID: 71696476
Formula: C43H43ClN4O6
MW: 747.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight747.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass746.2871128
Monoisotopic Mass746.2871128
Topological Polar Surface Area96.7 Ų
Heavy Atom Count54
Formal Charge0
Complexity1250
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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MBS3846235-01S55746 hydrochloride
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A21811-10S55746 hydrochloride 10mg
A21811-25S55746 hydrochloride 25mg
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