Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
|
D647942-1mg
|
1mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$350.90
|
|
|
D647942-5mg
|
5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$1,150.90
|
|
| Synonyms | SCHEMBL1346816 | (2S)-N-[(1R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-hydroxy-3-isobutyl-8-isopropyl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-13-[(1S)-1-methylpropyl]-2,5,7,10,15,19,22-heptaoxo-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan- |
|---|---|
| Specifications & Purity | ≥99% |
| Biochemical and Physiological Mechanisms | Didemnin B is a depsipeptide extracted from the marine tunicate Trididemnin cyanophorum. Didemnin B can be used for the research of cancer. |
| Storage Temp | Desiccated,Store at -80°C |
| Shipped In |
Dry ice packs + Cold packs This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Didemnin B is a depsipeptide extracted from the marine tunicate Trididemnin cyanophorum. Didemnin B can be used for the research of cancer. In Vitro Didemnin B has activity against miirine B16 melanoma, P388 leukemia, and M5076 sarcoma. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo Didemnin B is a potent inhibitor of L1210 growth . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Peptidomimetics |
| Subclass | Depsipeptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclic depsipeptides |
| Alternative Parents | Macrolide lactams Alpha amino acid esters Macrolactams Proline and derivatives Alpha amino acid amides Anisoles Pyrrolidinecarboxamides Methoxybenzenes N-acylpyrrolidines Phenoxy compounds Alkyl aryl ethers Alpha-acyloxy ketones Dicarboxylic acids and derivatives Cyclic carboximidic acids Tertiary carboxylic acid amides Lactones Lactams Secondary alcohols Cyclic ketones Carboxylic acid esters Polyols Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cyclic depsipeptide - Macrolide lactam - Alpha-amino acid ester - Proline or derivatives - Macrolactam - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - N-acylpyrrolidine - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Alkyl aryl ether - Alpha-acyloxy ketone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyrrolidine - Cyclic carboximidic acid - Tertiary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Ketone - Lactam - Lactone - Secondary alcohol - Cyclic ketone - Oxacycle - Carboximidic acid - Carboximidic acid derivative - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Polyol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. |
| External Descriptors | cyclodepsipeptide |
|
|
|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| IUPAC Name | (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide |
|---|---|
| INCHI | InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1 |
| InChIKey | KYHUYMLIVQFXRI-SJPGYWQQSA-N |
| Smiles | CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O |
| Isomeric SMILES | CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O |
| Alternate CAS | 77327-05-0 |
| PubChem CID | 122651 |
| MeSH Entry Terms | didemnin A;didemnin A, N-(1-(2-hydroxy-1-oxopropyl)-L-prolyl)-, (S)-;didemnin A, N-(2-hydroxy-1-oxopropyl)-, (S)-;didemnin B;didemnin C;didemnin D;didemnin E;didemnins;NSC 325319;oncoprecipitin A |
| Molecular Weight | 1112.35 |
| Solubility | DMSO : 100 mg/mL (89.90 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 1112.400 g/mol |
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 15 |
| Exact Mass | 1111.64 Da |
| Monoisotopic Mass | 1111.64 Da |
| Topological Polar Surface Area | 288.000 Ų |
| Heavy Atom Count | 79 |
| Formal Charge | 0 |
| Complexity | 2150.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 13 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |