RK-1441A

CAT: 0804-HY-123552Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0804-HY-123552Size:1 Each

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Description

RK-1441A is a pyrrolobenzodiazepine antibiotic with antibacteriophage activity[1].

CAS Number

132035-29-1

UNSPSC

12352005

Target

Antibiotic

Type

Natural Products

Related Pathways

Anti-infection

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/rk-1441a.html

Smiles

O=C1N2[C@]([H])([C@@H](NC3=CC(O)=C(C=C13)OC)O)CC[C@@H]2OC

Molecular Formula

C14H18N2O5

Molecular Weight

294.30

References & Citations

[1]H Osada, et al. New pyrrolobenzodiazepine antibiotics, RK-1441A and B. II. Isolation and structure. Agric Biol Chem. 1990 Nov;54 (11) :2883-7.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

RK 1441A

from Streptomyces sp. RK-1441; structure given in first source; related to neothramycin

CAS Number	132035-29-1
PubChem CID	131468
IUPAC Name	(6S,6aS,9S)-3,6-dihydroxy-2,9-dimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular Formula	C14H18N2O5
Molecular Weight	294.30
XLogP	0.8
Topological Polar Surface Area	91.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	407

SMILES

CO[C@H]1CC[C@@H]2N1C(=O)C3=CC(=C(C=C3N[C@H]2O)O)OC

InChI

InChI=1S/C14H18N2O5/c1-20-11-5-7-8(6-10(11)17)15-13(18)9-3-4-12(21-2)16(9)14(7)19/h5-6,9,12-13,15,17-18H,3-4H2,1-2H3/t9-,12-,13-/m0/s1

InChIKey

XKTHCVPMSHHKSI-XDTLVQLUSA-N

Chemical Structure

2D Structure

CAS: 132035-29-1

CID: 131468

Formula: C14H18N2O5

MW: 294.30

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	294.30
XLogP3	0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	294.12157168
Monoisotopic Mass	294.12157168
Topological Polar Surface Area	91.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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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HY-118043	RK-1441B
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HY-152775-01	RK-701
HY-116060	RK-286D
HY-111522-01	RK-9123016
HY-118105-01	RK-20448
HY-100455-01	RK-33
HY-108318-01	RK-24466
HY-137849-01	RK-582
HY-172614	RK-0080552

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Catalog	Name
GTR19198617-01	RK-1441A
BA3362-5	RK-9123016
BA9015-1	RK-24466
B7810-2	RK-33
BA4369-50	RK-287107
R033-0.5MG	RK-682
T73188-01	RK-0133114
T20686-01	RK 397
E1607-5mg	RK-701
TRC-R545500-25MG	RK 33

RK-1441A

Chemical Information

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