Products for Research Use Only
RegisterLogin

(S) -Sabutoclax

CAT: 0931-T84686-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T84686-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1228178-73-1
Target
Others, Bcl-2 Family
Related Pathways
Others, Apoptosis
Bioactivity
(S) -Sabutoclax ((S) -BI-97C1), an optically pure derivative of apogossypol, serves as a pan-active inhibitor of the antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. It effectively blocks the binding of BH3 peptides to key proteins in the family, including Bcl-XL, Bcl-2, Mcl-1, and Bfl-1, displaying inhibitory concentration (IC50) values of 0.31, 0.32, 0.20, and 0.62 μM, respectively. Furthermore, (S) -Sabutoclax demonstrates potent efficacy in inhibiting the growth of various cancer cell lines, such as those from human prostate cancer, lung cancer, and lymphoma, with half-maximal effective concentration (EC50) values of 0.13, 0.56, and 0.049 μM, respectively. This compound is utilized in research focusing on apoptosis-based cancer therapies [1].
Smiles
CC1=CC2=C(C(NC[C@@H](C3=CC=CC=C3)C)=O)C(O)=C(O)C=C2C(O)=[C@]1[C@]4=C(C)C=C5C(C(NC[C@@H](C6=CC=CC=C6)C)=O)=C(O)C(O)=CC5=C4O
Molecular Formula
C42H42N2O8S
Molecular Weight
732.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sabutoclax
CAS Number1228178-73-1
PubChem CID46236925
IUPAC Name2,3,5-trihydroxy-7-methyl-N-[(2R)-2-phenylpropyl]-6-[1,6,7-trihydroxy-3-methyl-5-[[(2R)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
Molecular FormulaC42H40N2O8
Molecular Weight700.8
XLogP8.9
Topological Polar Surface Area180
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count52
Formal Charge0
Complexity1100
SMILES
CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NC[C@H](C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NC[C@H](C)C6=CC=CC=C6
InChI
InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m0/s1
InChIKey
RAYNZUHYMMLQQA-ZEQRLZLVSA-N
Chemical Structure
2D Structure
2D structure of Sabutoclax
CAS: 1228178-73-1
CID: 46236925
Formula: C42H40N2O8
MW: 700.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight700.8
XLogP38.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass700.27846624
Monoisotopic Mass700.27846624
Topological Polar Surface Area180 Ų
Heavy Atom Count52
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T6650-01Sabutoclax
T212226-01(S, S, S) -AHPC
T212515-01(S, S, S) -AHPC-Me
T207328-01(R, S, S, S) -Orlistat
T13877-01(S, S, S) -AHPC hydrochloride
TYD-00339-01(S, S) -TsDPEN
T33073-01Lysinoalanine, (S, S) -
T29263-01(S, S) -D211
T61125-01(S,S)-Formoterol
T73929-01(S, S) -GSK321

Alternative Products

CatalogName
DZB10865-01Sabutoclax
A12823-1Sabutoclax 1mg
HY-15191B-01(S) -Sabutoclax
A12823-100Sabutoclax 100mg
A12823-25Sabutoclax 25mg
A12823-10Sabutoclax 10mg
A12823-5Sabutoclax 5mg

Popular Products