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Tapotoclax - 99%, high purity , CAS No.1883727-34-1

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1883727-34-1
Molecular Weight: 613.21
PubChem CID: 118910268

In stock

Item Number

T646698

Grouped product items
SKU	Size	Availability	Price
T646698-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90
T646698-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$539.90
T646698-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$359.90

View related series

Apoptosis (4276) Bcl-2 Family (144) Intrinsic Pathway (690)

Basic Description

Synonyms	BCP25146 \| AKOS040741103 \| EX-A2666 \| VF8 \| AMG 176 [WHO-DD] \| SR-05000001528-2 \| AC-36265 \| MCL-1 inhibitor AMG 176 \| 97W7N9T08G \| MS-30719 \| (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalen
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Tapotoclax (AMG-176) is a potent, selective MCL-1 inhibitor, with a K i of 0.13 nM.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Product Description	Tapotoclax is a potent inhibitor (Ki=0.13 nM) of the inducible myeloid leukemia cell differentiation protein MCL-1, with potential pro-apoptotic and anti-tumor activity. Upon administration, Tapotoclax binds to MCL-1, thereby inhibiting its function. This process prevents the formation of a complex between MCL-1 and Bcl-2-like protein 11 (BCL2L11; BIM) and further triggers apoptosis in tumor cells.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Tetralins

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Tetralins
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetralins
Alternative Parents	Dialkylarylamines Aralkylamines Alkyl aryl ethers Aryl chlorides Organosulfonic acids and derivatives Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetralin - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Alkyl aryl ether - Aryl halide - Aryl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3 Activities)

Discover Target: MCL1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BCL2 Tclin Apoptosis regulator Bcl-2 (1 Activities)

Discover Target: BCL2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BCL2L1 Tchem Bcl-2-like protein 1 (1 Activities)

Discover Target: BCL2L1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BCL2L1 Tchem Apoptosis regulator Bcl-X (2604 Activities)

Discover Target: BCL2L1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BCL2 Tclin Apoptosis regulator Bcl-2 (3787 Activities)

Discover Target: BCL2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)

Discover Target: MCL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OPM-2 (216 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13\u03bb6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one
INCHI	InChI=1S/C33H41ClN2O5S/c1-21-6-4-8-30(40-3)27-12-9-25(27)18-36-19-33(15-5-7-23-16-26(34)11-13-28(23)33)20-41-31-14-10-24(17-29(31)36)32(37)35-42(38,39)22(21)2/h4,8,10-11,13-14,16-17,21-22,25,27,30H,5-7,9,12,15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,27+,30-,33-/m0/s1
InChIKey	JQNINBDKGLWYMU-GEAQBIRJSA-N
Smiles	CC1CC=CC(C2CCC2CN3CC4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)C1C)OC
Isomeric SMILES	C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)[C@@H]1C)OC
Alternate CAS	1883727-34-1
PubChem CID	118910268
MeSH Entry Terms	(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro(2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13lambda6-thia-1,14-diazatetracyclo(14.7.2.03,6.019,24)pentacosa-8,16(25),17,19(24)-tetraene)-15'-one;AMG-176;AMG176;tapotoclax
Molecular Weight	613.21

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 62.5 mg/mL (101.92 mM; Need ultrasonic)
Sensitivity	Moisture sensitive
Molecular Weight	613.200 g/mol
XLogP3	6.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	612.242 Da
Monoisotopic Mass	612.242 Da
Topological Polar Surface Area	93.300 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	1110.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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