Seco-DUBA

CAT: 0013-GTR19189800-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19189800-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

Seco-DUBA is a DNA alkylating prodrug and cytotoxic ADC payload with potent in vitro activity, exhibiting IC50 values of 18 nM in KB cells and 430 pM in SK-OV-3 cells. It is designed for enhanced in vivo stability, converting to the active DUBA metabolite for anticancer research applications.

CAS Number

1227961-59-2

Product Name Alternative

ADCCytotoxin, ADC Cytotoxin, SecoDUBA, Seco-DUBA, Seco DUBA

Field of Research

Molecular Biology

Purity

99.81% (May vary between batches)

Solubility

DMSO:80 mg/mL (151.81 mM)

Smiles

C (Cl) [C@H]1C2=C (N (C (=O) C=3N=C4N (C3) C=C (NC (=O) C5=CC=C (O) C=C5) C=C4) C1) C=C (O) C=6C2=C (C) C=CC6

Molecular Formula

C29H23ClN4O4

Molecular Weight

526.97

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Seco-DUBA

CAS Number	1227961-59-2
PubChem CID	46240929
IUPAC Name	N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide
Molecular Formula	C29H23ClN4O4
Molecular Weight	527.0
XLogP	5.3
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	38
Formal Charge	0
Complexity	885

SMILES

CC1=C2C(=CC=C1)C(=CC3=C2[C@@H](CN3C(=O)C4=CN5C=C(C=CC5=N4)NC(=O)C6=CC=C(C=C6)O)CCl)O

InChI

InChI=1S/C29H23ClN4O4/c1-16-3-2-4-21-24(36)11-23-27(26(16)21)18(12-30)13-34(23)29(38)22-15-33-14-19(7-10-25(33)32-22)31-28(37)17-5-8-20(35)9-6-17/h2-11,14-15,18,35-36H,12-13H2,1H3,(H,31,37)/t18-/m1/s1

InChIKey

VQAFBYLFRCCWNB-GOSISDBHSA-N

Chemical Structure

2D Structure

CAS: 1227961-59-2

CID: 46240929

Formula: C29H23ClN4O4

MW: 527.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	527.0
XLogP3	5.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	526.1407829
Monoisotopic Mass	526.1407829
Topological Polar Surface Area	107 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	885
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19274923-01	DUBA
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GTR19153460-01	Seco-rapamycin
GTR18217993-01	Rabbit DUBA Antibody
GTR18080820-01	OTUD5 Antibody / DUBA
GTR19204872-01	Seco-Duocarmycin SA
GTR19153934-01	Secorapamycin A (Seco Rapamycin)
GTR18202229	OTUD5/DUBA Polyclonal Antibody
GTR19204819-01	Seco-Duocarmycin TM

Alternative Products

Catalog	Name
T38611-01	Seco-DUBA
HY-128957-01	Vc-seco-DUBA
HY-132180	Seco-DUBA (hydrochloride)
MBS5799735	Seco-DUBA hydrochloride
HY-131085	Desmethyl Vc-seco-DUBA
A13263-5	Vc-seco-DUBA 5mg
A13263-10	Vc-seco-DUBA 10mg
A13263-1	Vc-seco-DUBA 1mg
AR-D07867-01	Duocarmazine (Vc-seco-DUBA)
E8ER1914-50	OTUD5/DUBA

Seco-DUBA

Chemical Information

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