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Trabectedin , DNA inhibitor, CAS No.114899-77-3, DNA inhibitor

CAS#: 114899-77-3
Formula: C₃₉H₄₃N₃O₁₁S
Molecular Weight: 761.84
PubChem CID: 108150

Item Number

T128049

Grouped product items
SKU	Size	Availability	Price	Qty
T128049-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$315.90

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Pregnane X receptor Antagonist

Basic Description

Synonyms	Trabectedin \| Yondelis \| Ecteinascidin \| ecteinascidin 743 \| ET-743 \| 114899-77-3 \| Ecteinascidine 743 \| Ect 743 \| ET743 \| ID0YZQ2TCP \| UNII-ID0YZQ2TCP \| Ecteinascidins trabectedin \| NSC 648766 \| CCRIS 8133 \| DTXSID2046880 \| CHEBI:84050 \| Et 743 \| NSC-648766 \| DTXCID0026880 \| [(1R,2R,3R,11S,1
Specifications & Purity	Moligand™
Biochemical and Physiological Mechanisms	Description: IC50 Value: 0.1-3.7 nM(breast cancer cell lines) [1] Trabectedin (Ecteinascidin-743 or ET-743) is a novel antitumour agent of marine origin with potent antitumour activity both in vitro and in vivo. in vitro: T
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	ANTAGONIST, INHIBITOR
Mechanism of action	DNA inhibitor

Associated Targets(Human)

NR1I2 Tchem Nuclear receptor subfamily 1 group I member 2 (1 Activities)

Discover Target: NR1I2

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

CCRF-CEM (65223 Activities)

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

HT-29 (80576 Activities)

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

A549 (127892 Activities)

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

HeLa (62764 Activities)

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

MDA-MB-231 (73002 Activities)

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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

B16 (5829 Activities)

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

CHO-AA8 (574 Activities)

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

L1210 (27553 Activities)

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

P388 (20296 Activities)

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

M5076 (114 Activities)

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

V79 (1637 Activities)

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

Names and Identifiers

IUPAC Name	[(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate
INCHI	InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1
InChi Key	PKVRCIRHQMSYJX-AIFWHQITSA-N
Canonical SMILES	CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O
Isomeric SMILES	CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O
PubChem CID	108150
Molecular Weight	761.84

CAS Registry No.

PubChem CID

DrugBank Ligand

Wikipedia

ChEMBL Ligand

ChEBI

RCSB PDB Ligand

DrugCentral Ligand

Safety and Hazards(GHS)

Pictogram(s)	GHS06, GHS08, GHS07
Signal	Danger
Hazard Statements	H341:Suspected of causing genetic defects H373:Causes damage to organs through prolonged or repeated exposure H312:Harmful in contact with skin H332:Harmful if inhaled H300:Fatal if swallowed H361:Suspected of damaging fertility or the unborn child
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P281:Use personal protective equipment as required. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P203:Obtain, read and follow all safety instructions before use. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P318:if exposed or concerned, get medical advice. P317:Get emergency medical help. P319:Get medical help if you feel unwell.

References

1. D'Incalci M, Galmarini CM. (2010) A review of trabectedin (ET-743): a unique mechanism of action.. Mol Cancer Ther, 9 (8): (2157-63). [PMID:20647340]
2. Pommier Y, Kohlhagen G, Bailly C, Waring M, Mazumder A, Kohn KW. (1996) DNA sequence- and structure-selective alkylation of guanine N2 in the DNA minor groove by ecteinascidin 743, a potent antitumor compound from the Caribbean tunicate Ecteinascidia turbinata.. Biochemistry, 35 (41): (13303-9). [PMID:8873596]

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Trabectedin , DNA inhibitor, CAS No.114899-77-3, DNA inhibitor

Basic Description

Product Properties

Associated Targets(Human)

Associated Targets(non-human)

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Safety and Hazards(GHS)

Related Documents

References

Solution Calculators

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