The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Zotarolimus - 10mM in DMSO, high purity , CAS No.221877-54-9, FK506-binding protein 1A inhibitor
a tetrazole-containing Rapamycin analog
Basic Description
Synonyms
Zotarolimus | ABT-578 | 221877-54-9 | H4GXR80IZE | Mdt-4107 | CHEMBL219410 | ABT 578 | ABT578 | zotarilumus | Endeavor | A 179578 | UNII-H4GXR80IZE | Zotarolimus [USAN:INN] | ZOTAROLIMUS [INN] | ZOTAROLIMUS [USAN] | Zotarolimus (ABT-578) | Zotarolimus; ABT-578 | ZOTAROLIMUS [MART.] | SCHEM
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
Zotarolimus (ABT-578) is a semi-synthetic rapamycin analog with immunosuppressant and anti-proliferative activity. It binds to the FKBP12 binding protein, which subsequently binds to the mammalian target of rapamycin (mTOR) causing cell cycle arrest in th
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
FK506-binding protein 1A inhibitor
Product Description
Zotarolimus is a tetrazole-containing Rapamycin analog which is used as animmunomodulator, and is useful in the treatment of restenosis, immune, and autoimmune diseases.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolide lactams
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Macrolide lactams
Alternative Parents
Alpha amino acid esters Macrolides and analogues Piperidines Oxanes Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Cyclic ketones Hemiacetals Lactams Lactones Oxacyclic compounds Dialkyl ethers Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macrolide lactam - Alpha-amino acid ester - Macrolide - Alpha-amino acid or derivatives - Oxane - Piperidine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Carboxamide group - Carboxylic acid ester - Hemiacetal - Ketone - Lactam - Lactone - Secondary alcohol - Cyclic ketone - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Alcohol - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.
External Descriptors
Not available
Data sources
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.
Associated Targets(Human)
Associated Targets(non-human)
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
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-12-[(2R)-1-[(1S,3R,4S)-3-methoxy-4-(tetrazol-1-yl)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
INCHI
InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-30-53-54-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1
InChIKey
CGTADGCBEXYWNE-JUKNQOCSSA-N
Smiles
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)N5C=NN=N5)C)C)O)OC)C)C)C)OC
Isomeric SMILES
C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@@H]([C@@H](C4)OC)N5C=NN=N5)C)/C)O)OC)C)C)/C)OC
PubChem CID
9876378
Molecular Weight
966.22
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
100-105°C (lit.)
Molecular Weight
966.200 g/mol
XLogP3
5.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
15
Rotatable Bond Count
7
Exact Mass
965.573 Da
Monoisotopic Mass
965.573 Da
Topological Polar Surface Area
219.000 Ų
Heavy Atom Count
69
Formal Charge
0
Complexity
1890.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
15
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
4
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
4
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
