(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate

ALDRICH/ALD00034 - 95% (HPLC)

Synonym: N-Boc-seco-CBI

CAS Number: 130007-86-2
Empirical Formula (Hill Notation): C₁₈H₂₀ClNO₃
Molecular Weight: 333.81
MDL Number: MFCD29059844
Linear Formula: C₁₈H₂₀ClNO₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-ALD00034-10MG	10 mg	$125.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	95% (HPLC)
form	powder
InChI	1S/C18H20ClNO3/c1-18(2,3)23-17(22)20-10-11(9-19)16-13-7-5-4-6-12(13)15(21)8-14(16)20/h4-8,11,21H,9-10H2,1-3H3/t11-/m1/s1
InChI key	DGPQGWRHSMFTSW-LLVKDONJSA-N
optical activity	[α]/D -89.0, c = 0.05% in chloroform
Quality Level	100
SMILES string	OC1=C2C(C=CC=C2)=C3C(N(C(OC(C)(C)C)=O)C[C@H]3CCl)=C1
storage temp.	−20°C

Application:	N-Boc-CBI best used as its seco precursor (seco-N-Boc-CBI) is a simple alkylation subunit analog of that found in the naturally occurring antitumor agents the duocarmycins, yatakemycin, and CC-1065, which act by sequence selective DNA alkylation.
Other Notes:	Design, Synthesis, and Evaluation of Duocarmycin O-Amino Phenol Prodrugs Subject to Tunable Reductive Activation
Packaging:	10 mg in glass bottle

Symbol	GHS07,GHS09
Signal word	Warning
Hazard statements	H302 - H410
Precautionary statements	P273 - P501
Hazard Codes	Xn,N
Risk Statements	22-50/53
Safety Statements	60-61
RIDADR	UN 3077 9 / PGIII
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	95% (HPLC)
Storage Temp.	−20°C
UNSPSC	12352200

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